CID 144754422

70236-42-9

Structural Information

Molecular Formula
C17H16N4O4S
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=C(C=C3)S(=O)(=O)C)O
InChI
InChI=1S/C17H16N4O4S/c1-11-16(17(23)21(20-11)12-6-4-3-5-7-12)19-18-14-9-8-13(10-15(14)22)26(2,24)25/h3-10,20,22H,1-2H3
InChIKey
STRXIAYOPAFBTA-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-4-methylsulfonylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.08923 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09651 185.5
[M+Na]+ 395.07845 197.7
[M+NH4]+ 390.12305 190.4
[M+K]+ 411.05239 192.4
[M-H]- 371.08195 189.1
[M+Na-2H]- 393.06390 193.1
[M]+ 372.08868 188.5
[M]- 372.08978 188.5
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