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]+ 475.168596 212.2
[M+Na]+ 497.150538 216.2
[M-H]- 473.154044 221.5
[M+NH4]+ 492.195143 219.7
[M+K]+ 513.124478 210.8
[M+H-H2O]+ 457.158580 201.8
[M+HCOO]- 519.159521 227.5
[M+CH3COO]- 533.175171 239.2
[M+Na-2H]- 495.135986 215.7
[M]+ 474.16077142 215.3
[M]- 474.16186858 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.