PubChemLite - 1146118-59-3 (C22H24N2O5)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C22H24N2O5/c1-24(2)20(25)12-11-19(21(26)27)23-22(28)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,23,28)(H,26,27)/t19-/m0/s1

InChIKey

RSMCAOKIIZQPSD-IBGZPJMESA-N

Compound name

(2S)-5-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid

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]+	397.17580	194.5
[M+Na]+	419.15774	197.3
[M-H]-	395.16124	199.0
[M+NH4]+	414.20234	208.0
[M+K]+	435.13168	195.7
[M+H-H2O]+	379.16578	186.9
[M+HCOO]-	441.16672	213.3
[M+CH3COO]-	455.18237	228.3
[M+Na-2H]-	417.14319	193.8
[M]+	396.16797	198.1
[M]-	396.16907	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.17580

194.5

[M+Na]+

419.15774

197.3

[M-H]-

395.16124

199.0

[M+NH4]+

414.20234

208.0

[M+K]+

435.13168

195.7

[M+H-H2O]+

379.16578

186.9

[M+HCOO]-

441.16672

213.3

[M+CH3COO]-

455.18237

228.3

[M+Na-2H]-

417.14319

193.8

[M]+

396.16797

198.1

[M]-

396.16907

198.1

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

1146118-59-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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