CID 117645167

Cumyl-inaca

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC(C)(C1=CC=CC=C1)NC(=O)C2=NNC3=CC=CC=C32
InChI
InChI=1S/C17H17N3O/c1-17(2,12-8-4-3-5-9-12)18-16(21)15-13-10-6-7-11-14(13)19-20-15/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKey
COOPWWXIRLDJCP-UHFFFAOYSA-N
Compound name
N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

279.13718 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 165.3
[M+Na]+ 302.126398 172.9
[M-H]- 278.129904 169.4
[M+NH4]+ 297.171003 180.2
[M+K]+ 318.100338 167.3
[M+H-H2O]+ 262.134440 156.9
[M+HCOO]- 324.135381 185.4
[M+CH3COO]- 338.151031 176.3
[M+Na-2H]- 300.111846 172.3
[M]+ 279.13663142 164.9
[M]- 279.13772858 164.9
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