PubChemLite - Cyclopentane amide deriv. 15k (C15H27N5O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H27N5O5/c1-3-20(4-5-21)13(23)12(18-8(2)22)10-6-9(14(24)25)7-11(10)19-15(16)17/h9-12,21H,3-7H2,1-2H3,(H,18,22)(H,24,25)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1

InChIKey

IJFSSGKKDQRZSI-YECOWLKZSA-N

Compound name

(3R,4S)-3-[1-acetamido-2-[ethyl(2-hydroxyethyl)amino]-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]+	358.20851	184.7
[M+Na]+	380.19045	183.9
[M-H]-	356.19395	186.2
[M+NH4]+	375.23505	196.2
[M+K]+	396.16439	185.4
[M+H-H2O]+	340.19849	176.5
[M+HCOO]-	402.19943	204.4
[M+CH3COO]-	416.21508	228.9
[M+Na-2H]-	378.17590	177.7
[M]+	357.20068	179.6
[M]-	357.20178	179.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.20851

184.7

[M+Na]+

380.19045

183.9

[M-H]-

356.19395

186.2

[M+NH4]+

375.23505

196.2

[M+K]+

396.16439

185.4

[M+H-H2O]+

340.19849

176.5

[M+HCOO]-

402.19943

204.4

[M+CH3COO]-

416.21508

228.9

[M+Na-2H]-

378.17590

177.7

[M]+

357.20068

179.6

[M]-

357.20178

179.6

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

Cyclopentane amide deriv. 15k

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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