CID 3079313

125103-43-7

Structural Information

Molecular Formula
C25H23N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4
InChI
InChI=1S/C25H23N3O/c1-19-23(25(29)27(2)18-20-12-6-3-7-13-20)24(21-14-8-4-9-15-21)26-28(19)22-16-10-5-11-17-22/h3-17H,18H2,1-2H3
InChIKey
BJUUCLKONVGHQU-UHFFFAOYSA-N
Compound name
N-benzyl-N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1841 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19138 194.3
[M+Na]+ 404.17332 200.2
[M-H]- 380.17682 205.6
[M+NH4]+ 399.21792 204.3
[M+K]+ 420.14726 194.1
[M+H-H2O]+ 364.18136 182.0
[M+HCOO]- 426.18230 216.2
[M+CH3COO]- 440.19795 203.9
[M+Na-2H]- 402.15877 194.9
[M]+ 381.18355 195.1
[M]- 381.18465 195.1
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.