CID 3001105

Thiourea, n-(4-methyl-2-thiazolyl)-n'-(2-phenylethyl)-

Structural Information

Molecular Formula
C13H15N3S2
SMILES
CC1=CSC(=N1)NC(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C13H15N3S2/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKey
ZIPXZWMTOPUETF-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

277.07074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07802 159.6
[M+Na]+ 300.05996 167.1
[M-H]- 276.06346 164.9
[M+NH4]+ 295.10456 176.6
[M+K]+ 316.03390 160.8
[M+H-H2O]+ 260.06800 152.2
[M+HCOO]- 322.06894 174.3
[M+CH3COO]- 336.08459 170.7
[M+Na-2H]- 298.04541 160.2
[M]+ 277.07019 160.5
[M]- 277.07129 160.5
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