PubChemLite - 74874-07-0 (C20H36N6O7)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H36N6O7/c1-6-32-17(28)15-12-13(2)9-11-25(15)16(27)14(23-19(29)33-20(3,4)5)8-7-10-22-18(21)24-26(30)31/h13-15H,6-12H2,1-5H3,(H,23,29)(H3,21,22,24)/t13-,14+,15-/m1/s1

InChIKey

IXUJSLMIDVNADJ-QLFBSQMISA-N

Compound name

ethyl (2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate

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]+	473.27184	224.3
[M+Na]+	495.25378	240.1
[M-H]-	471.25728	238.4
[M+NH4]+	490.29838	235.5
[M+K]+	511.22772	231.4
[M+H-H2O]+	455.26182	216.9
[M+HCOO]-	517.26276	230.2
[M+CH3COO]-	531.27841	239.9
[M+Na-2H]-	493.23923	217.0
[M]+	472.26401	213.4
[M]-	472.26511	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.27184

224.3

[M+Na]+

495.25378

240.1

[M-H]-

471.25728

238.4

[M+NH4]+

490.29838

235.5

[M+K]+

511.22772

231.4

[M+H-H2O]+

455.26182

216.9

[M+HCOO]-

517.26276

230.2

[M+CH3COO]-

531.27841

239.9

[M+Na-2H]-

493.23923

217.0

[M]+

472.26401

213.4

[M]-

472.26511

213.4

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

74874-07-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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