CID 135571057

57301-22-1

Structural Information

Molecular Formula
C31H25N3O5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5)O
InChI
InChI=1S/C31H25N3O5S/c1-39-28-17-16-24(40(37,38)20-21-10-4-2-5-11-21)19-27(28)33-34-29-25-15-9-8-12-22(25)18-26(30(29)35)31(36)32-23-13-6-3-7-14-23/h2-19,35H,20H2,1H3,(H,32,36)
InChIKey
TYKQBZSGHJRQAL-UHFFFAOYSA-N
Compound name
4-[(5-benzylsulfonyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

551.1515 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.15878 229.6
[M+Na]+ 574.14072 244.3
[M+NH4]+ 569.18532 235.5
[M+K]+ 590.11466 233.6
[M-H]- 550.14422 239.1
[M+Na-2H]- 572.12617 241.8
[M]+ 551.15095 234.9
[M]- 551.15205 234.9
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