CID 6421631

Urea, 1-phenyl-3-phenylaminosulfonyl)-

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
C1=CC=C(C=C1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H13N3O3S/c17-13(14-11-7-3-1-4-8-11)16-20(18,19)15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)
InChIKey
QWBOUWUYHMQMSW-UHFFFAOYSA-N
Compound name
1-phenyl-3-(phenylsulfamoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

291.06775 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.075026 161.6
[M+Na]+ 314.056968 166.8
[M-H]- 290.060474 167.9
[M+NH4]+ 309.101573 175.7
[M+K]+ 330.030908 162.6
[M+H-H2O]+ 274.065010 153.4
[M+HCOO]- 336.065951 182.6
[M+CH3COO]- 350.081601 201.6
[M+Na-2H]- 312.042416 168.8
[M]+ 291.06720142 161.0
[M]- 291.06829858 161.0
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