CID 3091786

301326-22-7

Structural Information

Molecular Formula
C19H19N5O
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=O)C3=CC=NN3C)C
InChI
InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)
InChIKey
LKTNEXPODAWWFM-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

194
References

1017
Patents

333.15897 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 179.8
[M+Na]+ 356.14819 187.6
[M-H]- 332.15169 190.5
[M+NH4]+ 351.19279 193.1
[M+K]+ 372.12213 183.2
[M+H-H2O]+ 316.15623 168.6
[M+HCOO]- 378.15717 207.6
[M+CH3COO]- 392.17282 222.5
[M+Na-2H]- 354.13364 183.5
[M]+ 333.15842 182.3
[M]- 333.15952 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe