CID 997622

125103-47-1

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]+ 368.175736 189.5
[M+Na]+ 390.157678 195.9
[M-H]- 366.161184 199.7
[M+NH4]+ 385.202283 199.6
[M+K]+ 406.131618 188.6
[M+H-H2O]+ 350.165720 177.7
[M+HCOO]- 412.166661 211.4
[M+CH3COO]- 426.182311 199.1
[M+Na-2H]- 388.143126 191.4
[M]+ 367.16791142 188.9
[M]- 367.16900858 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.