CID 16220165

Chembl443904

Structural Information

Molecular Formula
C19H26N4O3
SMILES
CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H26N4O3/c1-2-3-7-14(12-22(26)13-24)19(25)23-11-6-10-17(23)18-20-15-8-4-5-9-16(15)21-18/h4-5,8-9,13-14,17,26H,2-3,6-7,10-12H2,1H3,(H,20,21)/t14-,17+/m1/s1
InChIKey
UAMIOXFYSOXLHT-PBHICJAKSA-N
Compound name
N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

358.2005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20778 186.1
[M+Na]+ 381.18972 190.1
[M-H]- 357.19322 188.4
[M+NH4]+ 376.23432 197.8
[M+K]+ 397.16366 186.4
[M+H-H2O]+ 341.19776 176.8
[M+HCOO]- 403.19870 202.3
[M+CH3COO]- 417.21435 214.3
[M+Na-2H]- 379.17517 183.8
[M]+ 358.19995 186.6
[M]- 358.20105 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe