PubChemLite - Cyclopentane amide deriv. 16e (C17H29N5O4)

Structural Information

Molecular Formula

SMILES

CC1CCCCN1C(=O)C([C@H]2CC(C[C@@H]2N=C(N)N)C(=O)O)NC(=O)C

InChI

InChI=1S/C17H29N5O4/c1-9-5-3-4-6-22(9)15(24)14(20-10(2)23)12-7-11(16(25)26)8-13(12)21-17(18)19/h9,11-14H,3-8H2,1-2H3,(H,20,23)(H,25,26)(H4,18,19,21)/t9?,11?,12-,13-,14?/m0/s1

InChIKey

KPRCPIQIAXHUQK-UOKOURQSSA-N

Compound name

trans-(3R,4S)-3-[1-acetamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-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]+	368.22923	187.6
[M+Na]+	390.21117	186.4
[M-H]-	366.21467	190.5
[M+NH4]+	385.25577	197.8
[M+K]+	406.18511	185.9
[M+H-H2O]+	350.21921	179.2
[M+HCOO]-	412.22015	202.6
[M+CH3COO]-	426.23580	227.3
[M+Na-2H]-	388.19662	179.8
[M]+	367.22140	177.9
[M]-	367.22250	177.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.22923

187.6

[M+Na]+

390.21117

186.4

[M-H]-

366.21467

190.5

[M+NH4]+

385.25577

197.8

[M+K]+

406.18511

185.9

[M+H-H2O]+

350.21921

179.2

[M+HCOO]-

412.22015

202.6

[M+CH3COO]-

426.23580

227.3

[M+Na-2H]-

388.19662

179.8

[M]+

367.22140

177.9

[M]-

367.22250

177.9

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

Cyclopentane amide deriv. 16e

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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