CID 110148

68399-96-2

Structural Information

Molecular Formula
C24H19N3O6S
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C24H19N3O6S/c1-33-21-9-5-4-8-20(21)25-24(29)19-14-15-6-2-3-7-18(15)22(23(19)28)27-26-16-10-12-17(13-11-16)34(30,31)32/h2-14,28H,1H3,(H,25,29)(H,30,31,32)
InChIKey
ZJGNHBMFAIHCPM-UHFFFAOYSA-N
Compound name
4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

477.09946 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.10674 208.2
[M+Na]+ 500.08868 220.6
[M+NH4]+ 495.13328 213.3
[M+K]+ 516.06262 212.8
[M-H]- 476.09218 214.3
[M+Na-2H]- 498.07413 217.4
[M]+ 477.09891 212.0
[M]- 477.10001 212.0
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