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]+ 280.14446 165.3
[M+Na]+ 302.12640 172.9
[M-H]- 278.12990 169.4
[M+NH4]+ 297.17100 180.2
[M+K]+ 318.10034 167.3
[M+H-H2O]+ 262.13444 156.9
[M+HCOO]- 324.13538 185.4
[M+CH3COO]- 338.15103 176.3
[M+Na-2H]- 300.11185 172.3
[M]+ 279.13663 164.9
[M]- 279.13773 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.