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]+ 334.191376 182.1
[M+Na]+ 356.173318 188.6
[M-H]- 332.176824 189.3
[M+NH4]+ 351.217923 194.4
[M+K]+ 372.147258 182.6
[M+H-H2O]+ 316.181360 171.5
[M+HCOO]- 378.182301 204.0
[M+CH3COO]- 392.197951 213.7
[M+Na-2H]- 354.158766 183.3
[M]+ 333.18355142 183.2
[M]- 333.18464858 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.