CID 117650402

Cumyl-4cn-binaca

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
2
Annotation Hits

5
References

8
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 191.8
[M+Na]+ 383.18422 203.8
[M+NH4]+ 378.22882 194.9
[M+K]+ 399.15816 194.4
[M-H]- 359.18772 187.3
[M+Na-2H]- 381.16967 195.6
[M]+ 360.19445 191.4
[M]- 360.19555 191.4
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