CID 4435335

439094-41-4

Structural Information

Molecular Formula
C27H26N2O4S
SMILES
CCCCNS(=O)(=O)C1=CC(=C(C2=CC=CC=C21)O)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26N2O4S/c1-2-3-18-28-34(32,33)25-19-24(26(30)23-17-11-10-16-22(23)25)27(31)29(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,19,28,30H,2-3,18H2,1H3
InChIKey
KPRYUMHZDOVKOH-UHFFFAOYSA-N
Compound name
4-(butylsulfamoyl)-1-hydroxy-N,N-diphenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.16132 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.16860 210.8
[M+Na]+ 497.15054 223.9
[M+NH4]+ 492.19514 217.3
[M+K]+ 513.12448 214.3
[M-H]- 473.15404 217.5
[M+Na-2H]- 495.13599 220.6
[M]+ 474.16077 215.1
[M]- 474.16187 215.1
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.