CID 175079

Ec 481-080-8

Structural Information

Molecular Formula
C16H13ClN4O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C16H13ClN4O2/c1-10-15(19-18-13-9-11(17)7-8-14(13)22)16(23)21(20-10)12-5-3-2-4-6-12/h2-9,20,22H,1H3
InChIKey
MGZKXSAABCMJGN-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0727 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07998 174.3
[M+Na]+ 351.06192 189.5
[M+NH4]+ 346.10652 181.3
[M+K]+ 367.03586 183.4
[M-H]- 327.06542 179.8
[M+Na-2H]- 349.04737 183.8
[M]+ 328.07215 178.2
[M]- 328.07325 178.2
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.