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 212.2
[M+Na]+ 497.15054 216.2
[M-H]- 473.15404 221.5
[M+NH4]+ 492.19514 219.7
[M+K]+ 513.12448 210.8
[M+H-H2O]+ 457.15858 201.8
[M+HCOO]- 519.15952 227.5
[M+CH3COO]- 533.17517 239.2
[M+Na-2H]- 495.13599 215.7
[M]+ 474.16077 215.3
[M]- 474.16187 215.3
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.