CID 172877

71701-27-4

Structural Information

Molecular Formula
C23H19N5O6S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)O)C4=CC=CC=C4
InChI
InChI=1S/C23H19N5O6S/c1-14-21(22(30)28(26-14)15-7-3-2-4-8-15)25-24-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32/h2-13,21,27,29H,1H3,(H,31,32)
InChIKey
YGZYVPMCZIEREV-UHFFFAOYSA-N
Compound name
2-[[4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

493.1056 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.11288 213.0
[M+Na]+ 516.09482 219.3
[M-H]- 492.09832 224.3
[M+NH4]+ 511.13942 217.8
[M+K]+ 532.06876 214.5
[M+H-H2O]+ 476.10286 202.4
[M+HCOO]- 538.10380 230.8
[M+CH3COO]- 552.11945 243.1
[M+Na-2H]- 514.08027 215.1
[M]+ 493.10505 216.5
[M]- 493.10615 216.5
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

No patent data available for this compound.