CID 3001114

Thiourea, n-(5-chloro-2-thiazolyl)-n'-(2-phenylethyl)-

Structural Information

Molecular Formula
C12H12ClN3S2
SMILES
C1=CC=C(C=C1)CCNC(=S)NC2=NC=C(S2)Cl
InChI
InChI=1S/C12H12ClN3S2/c13-10-8-15-12(18-10)16-11(17)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,17)
InChIKey
FRTOQBKWAXWZAM-UHFFFAOYSA-N
Compound name
1-(5-chloro-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

297.0161 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02338 162.3
[M+Na]+ 320.00532 170.7
[M-H]- 296.00882 167.8
[M+NH4]+ 315.04992 179.3
[M+K]+ 335.97926 163.2
[M+H-H2O]+ 280.01336 155.9
[M+HCOO]- 342.01430 172.7
[M+CH3COO]- 356.02995 173.4
[M+Na-2H]- 317.99077 162.9
[M]+ 297.01555 164.7
[M]- 297.01665 164.7
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