CID 3596056

151882-81-4

Structural Information

Molecular Formula
C29H28N4O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C29H28N4O6S2/c1-20-3-15-26(16-4-20)40(36,37)32-28(34)30-24-11-7-22(8-12-24)19-23-9-13-25(14-10-23)31-29(35)33-41(38,39)27-17-5-21(2)6-18-27/h3-18H,19H2,1-2H3,(H2,30,32,34)(H2,31,33,35)
InChIKey
XVSRGZPKJKLORS-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-3-[4-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

597
Patents

592.145 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.15228 230.1
[M+Na]+ 615.13422 239.0
[M+NH4]+ 610.17882 233.0
[M+K]+ 631.10816 231.1
[M-H]- 591.13772 236.3
[M+Na-2H]- 613.11967 240.3
[M]+ 592.14445 233.7
[M]- 592.14555 233.7
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

patents stripe