CID 6852128

N-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C14H15N3O5S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKey
HDCXQTPVTAIPNZ-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

369.04532 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05260 181.0
[M+Na]+ 392.03454 186.9
[M-H]- 368.03804 186.2
[M+NH4]+ 387.07914 191.7
[M+K]+ 408.00848 181.1
[M+H-H2O]+ 352.04258 172.8
[M+HCOO]- 414.04352 194.1
[M+CH3COO]- 428.05917 214.4
[M+Na-2H]- 390.01999 186.0
[M]+ 369.04477 181.8
[M]- 369.04587 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe