CID 997622

N-benzyl-5-methyl-1,3-diphenyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C24H21N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O/c1-18-22(24(28)25-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)26-27(18)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,25,28)
InChIKey
XWQSBCAVIUGPBQ-UHFFFAOYSA-N
Compound name
N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

367.16846 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17574 189.5
[M+Na]+ 390.15768 195.9
[M-H]- 366.16118 199.7
[M+NH4]+ 385.20228 199.6
[M+K]+ 406.13162 188.6
[M+H-H2O]+ 350.16572 177.7
[M+HCOO]- 412.16666 211.4
[M+CH3COO]- 426.18231 199.1
[M+Na-2H]- 388.14313 191.4
[M]+ 367.16791 188.9
[M]- 367.16901 188.9
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

No patent data available for this compound.