CID 362543

Nsc626617

Structural Information

Molecular Formula
C19H17ClN4O
SMILES
CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C19H17ClN4O/c1-12-7-6-8-15(11-12)21-22-18-13(2)23-24(14(18)3)19(25)16-9-4-5-10-17(16)20/h4-11H,1-3H3
InChIKey
JXOBCRBBJRCGPW-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-[3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1091 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11638 185.3
[M+Na]+ 375.09832 195.6
[M-H]- 351.10182 196.0
[M+NH4]+ 370.14292 199.3
[M+K]+ 391.07226 189.6
[M+H-H2O]+ 335.10636 174.8
[M+HCOO]- 397.10730 207.3
[M+CH3COO]- 411.12295 222.2
[M+Na-2H]- 373.08377 186.7
[M]+ 352.10855 191.0
[M]- 352.10965 191.0
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.