CID 3038177

Urea, 1,3-bis(o-chlorobenzyl)-2-thio-

Structural Information

Molecular Formula
C15H14Cl2N2S
SMILES
C1=CC=C(C(=C1)CNC(=S)NCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C15H14Cl2N2S/c16-13-7-3-1-5-11(13)9-18-15(20)19-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKey
KNVQGYRKNYQADY-UHFFFAOYSA-N
Compound name
1,3-bis[(2-chlorophenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.02548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.032756 170.2
[M+Na]+ 347.014698 177.9
[M-H]- 323.018204 176.1
[M+NH4]+ 342.059303 185.8
[M+K]+ 362.988638 169.7
[M+H-H2O]+ 307.022740 164.4
[M+HCOO]- 369.023681 180.6
[M+CH3COO]- 383.039331 207.4
[M+Na-2H]- 345.000146 171.9
[M]+ 324.02493142 173.1
[M]- 324.02602858 173.1
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

No patent data available for this compound.