CID 3079317

125103-48-2

Structural Information

Molecular Formula
C22H25N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCC(C)C
InChI
InChI=1S/C22H25N3O/c1-16(2)14-15-23-22(26)20-17(3)25(19-12-8-5-9-13-19)24-21(20)18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,23,26)
InChIKey
KAHHFAWBDLOGPJ-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methylbutyl)-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19977 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 186.6
[M+Na]+ 370.18899 192.4
[M-H]- 346.19249 193.8
[M+NH4]+ 365.23359 198.2
[M+K]+ 386.16293 186.7
[M+H-H2O]+ 330.19703 176.1
[M+HCOO]- 392.19797 207.2
[M+CH3COO]- 406.21362 217.5
[M+Na-2H]- 368.17444 186.2
[M]+ 347.19922 187.5
[M]- 347.20032 187.5
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.