CID 4147516

1-(3,4-dichlorophenyl)-3-(4-sulfamoylphenyl)-2-thiourea

Structural Information

Molecular Formula
C13H11Cl2N3O2S2
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C13H11Cl2N3O2S2/c14-11-6-3-9(7-12(11)15)18-13(21)17-8-1-4-10(5-2-8)22(16,19)20/h1-7H,(H2,16,19,20)(H2,17,18,21)
InChIKey
QMIWMLSTKCUDPM-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-sulfamoylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.96698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.97426 182.6
[M+Na]+ 397.95620 193.7
[M+NH4]+ 393.00080 189.9
[M+K]+ 413.93014 183.6
[M-H]- 373.95970 186.6
[M+Na-2H]- 395.94165 189.0
[M]+ 374.96643 186.6
[M]- 374.96753 186.6
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