CID 110843

6407-74-5

Structural Information

Molecular Formula
C16H13ClN4O
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN4O/c1-11-15(19-18-14-10-6-5-9-13(14)17)16(22)21(20-11)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKey
YYKCUFRKHHBXON-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

312.0778 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08508 170.7
[M+Na]+ 335.06702 186.3
[M+NH4]+ 330.11162 179.0
[M+K]+ 351.04096 179.1
[M-H]- 311.07052 177.5
[M+Na-2H]- 333.05247 181.4
[M]+ 312.07725 175.2
[M]- 312.07835 175.2
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

patents stripe