CID 3019216

83682-26-2

Structural Information

Molecular Formula
C27H25ClN4O4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)C)O
InChI
InChI=1S/C27H25ClN4O4S/c1-16-9-11-20(37(35,36)32(3)4)15-24(16)30-31-25-21-8-6-5-7-18(21)14-22(26(25)33)27(34)29-23-12-10-19(28)13-17(23)2/h5-15,33H,1-4H3,(H,29,34)
InChIKey
NSTSGPYVQXURPN-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-4-[[5-(dimethylsulfamoyl)-2-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.1285 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.13578 227.4
[M+Na]+ 559.11772 241.1
[M+NH4]+ 554.16232 233.4
[M+K]+ 575.09166 231.3
[M-H]- 535.12122 235.4
[M+Na-2H]- 557.10317 236.6
[M]+ 536.12795 232.4
[M]- 536.12905 232.4
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.