CID 3421033

Led209

Structural Information

Molecular Formula
C19H17N3O2S2
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H17N3O2S2/c23-26(24,22-17-9-5-2-6-10-17)18-13-11-16(12-14-18)21-19(25)20-15-7-3-1-4-8-15/h1-14,22H,(H2,20,21,25)
InChIKey
HNDRSTUKPCLQLT-UHFFFAOYSA-N
Compound name
1-phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

42
Patents

383.07623 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.083506 184.8
[M+Na]+ 406.065448 190.0
[M-H]- 382.068954 193.1
[M+NH4]+ 401.110053 195.3
[M+K]+ 422.039388 181.9
[M+H-H2O]+ 366.073490 175.8
[M+HCOO]- 428.074431 199.5
[M+CH3COO]- 442.090081 218.7
[M+Na-2H]- 404.050896 190.4
[M]+ 383.07568142 183.6
[M]- 383.07677858 183.6
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