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

7
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 177.6
[M+Na]+ 397.95620 185.8
[M-H]- 373.95970 183.4
[M+NH4]+ 393.00080 190.6
[M+K]+ 413.93014 177.0
[M+H-H2O]+ 357.96424 172.6
[M+HCOO]- 419.96518 182.6
[M+CH3COO]- 433.98083 214.5
[M+Na-2H]- 395.94165 179.4
[M]+ 374.96643 179.9
[M]- 374.96753 179.9
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