CID 71709695

1436004-46-4

Structural Information

Molecular Formula
C17H18N6O2
SMILES
C1C(CN(C1=O)C2=NNC3=CC=CC=C32)C(=O)NCCC4=CN=CN4
InChI
InChI=1S/C17H18N6O2/c24-15-7-11(17(25)19-6-5-12-8-18-10-20-12)9-23(15)16-13-3-1-2-4-14(13)21-22-16/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,25)(H,21,22)
InChIKey
WWPHFXOMYQJGGF-UHFFFAOYSA-N
Compound name
N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

338.1491 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15638 175.6
[M+Na]+ 361.13832 182.7
[M-H]- 337.14182 179.1
[M+NH4]+ 356.18292 186.7
[M+K]+ 377.11226 177.0
[M+H-H2O]+ 321.14636 165.6
[M+HCOO]- 383.14730 192.4
[M+CH3COO]- 397.16295 184.5
[M+Na-2H]- 359.12377 174.3
[M]+ 338.14855 173.7
[M]- 338.14965 173.7
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