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]+ 348.207046 186.6
[M+Na]+ 370.188988 192.4
[M-H]- 346.192494 193.8
[M+NH4]+ 365.233593 198.2
[M+K]+ 386.162928 186.7
[M+H-H2O]+ 330.197030 176.1
[M+HCOO]- 392.197971 207.2
[M+CH3COO]- 406.213621 217.5
[M+Na-2H]- 368.174436 186.2
[M]+ 347.19922142 187.5
[M]- 347.20031858 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.