CID 138395979

764708-93-2

Structural Information

Molecular Formula
C23H16ClN3O5S
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4)Cl)S(=O)(=O)O
InChI
InChI=1S/C23H16ClN3O5S/c24-19-11-10-16(13-20(19)33(30,31)32)26-27-21-17-9-5-4-6-14(17)12-18(22(21)28)23(29)25-15-7-2-1-3-8-15/h1-13,28H,(H,25,29)(H,30,31,32)
InChIKey
RFADFCIDBKWULV-UHFFFAOYSA-N
Compound name
2-chloro-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

481.04993 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.05721 207.8
[M+Na]+ 504.03915 215.5
[M-H]- 480.04265 218.6
[M+NH4]+ 499.08375 216.3
[M+K]+ 520.01309 209.6
[M+H-H2O]+ 464.04719 198.8
[M+HCOO]- 526.04813 222.4
[M+CH3COO]- 540.06378 239.1
[M+Na-2H]- 502.02460 213.8
[M]+ 481.04938 213.8
[M]- 481.05048 213.8
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.