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]+ 325.03276 170.2
[M+Na]+ 347.01470 177.9
[M-H]- 323.01820 176.1
[M+NH4]+ 342.05930 185.8
[M+K]+ 362.98864 169.7
[M+H-H2O]+ 307.02274 164.4
[M+HCOO]- 369.02368 180.6
[M+CH3COO]- 383.03933 207.4
[M+Na-2H]- 345.00015 171.9
[M]+ 324.02493 173.1
[M]- 324.02603 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.