CID 170829

50326-33-5

Structural Information

Molecular Formula
C25H20ClN3O6S
SMILES
CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC)O)S(=O)(=O)O
InChI
InChI=1S/C25H20ClN3O6S/c1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2/h3-13,30H,1-2H3,(H,27,31)(H,32,33,34)
InChIKey
XFCKJMPKYPYQLS-UHFFFAOYSA-N
Compound name
4-chloro-2-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

525.0761 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.08338 221.1
[M+Na]+ 548.06532 234.7
[M+NH4]+ 543.10992 226.2
[M+K]+ 564.03926 226.0
[M-H]- 524.06882 227.3
[M+Na-2H]- 546.05077 229.4
[M]+ 525.07555 225.5
[M]- 525.07665 225.5
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.