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]+ 353.116376 185.3
[M+Na]+ 375.098318 195.6
[M-H]- 351.101824 196.0
[M+NH4]+ 370.142923 199.3
[M+K]+ 391.072258 189.6
[M+H-H2O]+ 335.106360 174.8
[M+HCOO]- 397.107301 207.3
[M+CH3COO]- 411.122951 222.2
[M+Na-2H]- 373.083766 186.7
[M]+ 352.10855142 191.0
[M]- 352.10964858 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.