PubChemLite - Cyclopentane amide deriv. 16b (C15H25N5O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(=O)O)C(=O)N2CCCC2

InChI

InChI=1S/C15H25N5O4/c1-8(21)18-12(13(22)20-4-2-3-5-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1

InChIKey

HGKXDQMONGAZJI-YECOWLKZSA-N

Compound name

(3R,4S)-3-(1-acetamido-2-oxo-2-pyrrolidin-1-ylethyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic 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]+	340.19792	179.6
[M+Na]+	362.17986	178.8
[M-H]-	338.18336	183.2
[M+NH4]+	357.22446	192.4
[M+K]+	378.15380	178.9
[M+H-H2O]+	322.18790	171.3
[M+HCOO]-	384.18884	197.4
[M+CH3COO]-	398.20449	219.4
[M+Na-2H]-	360.16531	172.4
[M]+	339.19009	170.9
[M]-	339.19119	170.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

340.19792

179.6

[M+Na]+

362.17986

178.8

[M-H]-

338.18336

183.2

[M+NH4]+

357.22446

192.4

[M+K]+

378.15380

178.9

[M+H-H2O]+

322.18790

171.3

[M+HCOO]-

384.18884

197.4

[M+CH3COO]-

398.20449

219.4

[M+Na-2H]-

360.16531

172.4

[M]+

339.19009

170.9

[M]-

339.19119

170.9

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

Cyclopentane amide deriv. 16b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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