CID 117650402

1-(4-cyanobutyl)-n-(2-phenylpropan-2-yl)-1h-indazole-3-carboxamide

Structural Information

Molecular Formula
C22H24N4O
SMILES
CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CCCCC#N
InChI
InChI=1S/C22H24N4O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,16H2,1-2H3,(H,24,27)
InChIKey
JGTSOWOPISVAHG-UHFFFAOYSA-N
Compound name
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

10
Patents

360.195 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 195.4
[M+Na]+ 383.18422 203.8
[M-H]- 359.18772 197.8
[M+NH4]+ 378.22882 205.8
[M+K]+ 399.15816 195.8
[M+H-H2O]+ 343.19226 178.7
[M+HCOO]- 405.19320 211.0
[M+CH3COO]- 419.20885 226.8
[M+Na-2H]- 381.16967 197.8
[M]+ 360.19445 192.4
[M]- 360.19555 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.