PubChemLite - 1,2-hydrazinedicarboxylic acid, 1-[(3s)-6-(dimethylamino)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-dioxohexyl]-, dimethyl ester (C17H30N4O8)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CN(C(=O)OC)NC(=O)OC

InChI

InChI=1S/C17H30N4O8/c1-17(2,3)29-14(24)18-11(8-9-13(23)20(4)5)12(22)10-21(16(26)28-7)19-15(25)27-6/h11H,8-10H2,1-7H3,(H,18,24)(H,19,25)/t11-/m0/s1

InChIKey

JZQQEWYADDOZKY-NSHDSACASA-N

Compound name

methyl N-[(3S)-6-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,6-dioxohexyl]-N-(methoxycarbonylamino)carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	419.21364	210.1
[M+Na]+	441.19558	227.2
[M-H]-	417.19908	227.3
[M+NH4]+	436.24018	228.0
[M+K]+	457.16952	219.3
[M+H-H2O]+	401.20362	213.5
[M+HCOO]-	463.20456	208.6
[M+CH3COO]-	477.22021	239.0
[M+Na-2H]-	439.18103	206.6
[M]+	418.20581	206.7
[M]-	418.20691	206.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.21364

210.1

[M+Na]+

441.19558

227.2

[M-H]-

417.19908

227.3

[M+NH4]+

436.24018

228.0

[M+K]+

457.16952

219.3

[M+H-H2O]+

401.20362

213.5

[M+HCOO]-

463.20456

208.6

[M+CH3COO]-

477.22021

239.0

[M+Na-2H]-

439.18103

206.6

[M]+

418.20581

206.7

[M]-

418.20691

206.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,2-hydrazinedicarboxylic acid, 1-[(3s)-6-(dimethylamino)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-dioxohexyl]-, dimethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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