CID 86273676

Cumyl-pinaca

Structural Information

Molecular Formula
C22H27N3O
SMILES
CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC(C)(C)C3=CC=CC=C3
InChI
InChI=1S/C22H27N3O/c1-4-5-11-16-25-19-15-10-9-14-18(19)20(24-25)21(26)23-22(2,3)17-12-7-6-8-13-17/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,23,26)
InChIKey
LCBASRYREGWIJT-UHFFFAOYSA-N
Compound name
1-pentyl-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

7
Patents

349.21542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 188.8
[M+Na]+ 372.20464 195.4
[M-H]- 348.20814 193.6
[M+NH4]+ 367.24924 201.7
[M+K]+ 388.17858 189.5
[M+H-H2O]+ 332.21268 179.2
[M+HCOO]- 394.21362 208.5
[M+CH3COO]- 408.22927 217.3
[M+Na-2H]- 370.19009 192.6
[M]+ 349.21487 192.1
[M]- 349.21597 192.1
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.