CID 468880

N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenoxy]methyl]benzamide

Structural Information

Molecular Formula
C27H24N4O7S2
SMILES
C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C27H24N4O7S2/c28-39(34,35)21-13-9-19(10-14-21)30-26(32)23-6-2-1-5-18(23)17-38-25-8-4-3-7-24(25)27(33)31-20-11-15-22(16-12-20)40(29,36)37/h1-16H,17H2,(H,30,32)(H,31,33)(H2,28,34,35)(H2,29,36,37)
InChIKey
DPRRAKPREWZHIY-UHFFFAOYSA-N
Compound name
N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenoxy]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

580.10864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.11592 229.8
[M+Na]+ 603.09786 231.7
[M-H]- 579.10136 239.0
[M+NH4]+ 598.14246 230.1
[M+K]+ 619.07180 226.2
[M+H-H2O]+ 563.10590 218.6
[M+HCOO]- 625.10684 241.2
[M+CH3COO]- 639.12249 257.0
[M+Na-2H]- 601.08331 235.2
[M]+ 580.10809 230.4
[M]- 580.10919 230.4
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.