PubChemLite - Chembl519613 (C19H24N4O3)

Structural Information

Molecular Formula

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2CC2)CN(C=O)O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H24N4O3/c24-12-22(26)11-14(10-13-7-8-13)19(25)23-9-3-6-17(23)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17,26H,3,6-11H2,(H,20,21)/t14-,17+/m1/s1

InChIKey

LZHNVLKCFOLVSY-PBHICJAKSA-N

Compound name

N-[(2R)-3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(cyclopropylmethyl)-3-oxopropyl]-N-hydroxyformamide

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]+	357.19212	183.9
[M+Na]+	379.17406	190.1
[M-H]-	355.17756	189.7
[M+NH4]+	374.21866	191.0
[M+K]+	395.14800	184.0
[M+H-H2O]+	339.18210	175.6
[M+HCOO]-	401.18304	200.6
[M+CH3COO]-	415.19869	214.9
[M+Na-2H]-	377.15951	181.9
[M]+	356.18429	185.6
[M]-	356.18539	185.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.19212

183.9

[M+Na]+

379.17406

190.1

[M-H]-

355.17756

189.7

[M+NH4]+

374.21866

191.0

[M+K]+

395.14800

184.0

[M+H-H2O]+

339.18210

175.6

[M+HCOO]-

401.18304

200.6

[M+CH3COO]-

415.19869

214.9

[M+Na-2H]-

377.15951

181.9

[M]+

356.18429

185.6

[M]-

356.18539

185.6

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

Chembl519613

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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