CID 3079319

Brn 4203359

Structural Information

Molecular Formula
C21H23N3O
SMILES
CCCCNC(=O)C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H23N3O/c1-3-4-15-22-21(25)19-16(2)24(18-13-9-6-10-14-18)23-20(19)17-11-7-5-8-12-17/h5-14H,3-4,15H2,1-2H3,(H,22,25)
InChIKey
AJCUHIQRNNLRGV-UHFFFAOYSA-N
Compound name
N-butyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 182.1
[M+Na]+ 356.17332 188.6
[M-H]- 332.17682 189.3
[M+NH4]+ 351.21792 194.4
[M+K]+ 372.14726 182.6
[M+H-H2O]+ 316.18136 171.5
[M+HCOO]- 378.18230 204.0
[M+CH3COO]- 392.19795 213.7
[M+Na-2H]- 354.15877 183.3
[M]+ 333.18355 183.2
[M]- 333.18465 183.2
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.