CID 142550469

2305204-24-2

Structural Information

Molecular Formula
C17H17ClN6O2
SMILES
C1C(CN(C1=O)C2=NNC3=C2C=CC=C3Cl)C(=O)NCCC4=CN=CN4
InChI
InChI=1S/C17H17ClN6O2/c18-13-3-1-2-12-15(13)22-23-16(12)24-8-10(6-14(24)25)17(26)20-5-4-11-7-19-9-21-11/h1-3,7,9-10H,4-6,8H2,(H,19,21)(H,20,26)(H,22,23)
InChIKey
MCXQHNLGSHUYBL-UHFFFAOYSA-N
Compound name
1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

372.11014 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11742 184.5
[M+Na]+ 395.09936 193.0
[M-H]- 371.10286 188.0
[M+NH4]+ 390.14396 195.2
[M+K]+ 411.07330 186.0
[M+H-H2O]+ 355.10740 174.5
[M+HCOO]- 417.10834 196.5
[M+CH3COO]- 431.12399 193.1
[M+Na-2H]- 393.08481 181.7
[M]+ 372.10959 184.7
[M]- 372.11069 184.7
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