CID 3001103

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

Structural Information

Molecular Formula
C13H15N3S2
SMILES
CN(CCC1=CC=CC=C1)C(=S)NC2=NC=CS2
InChI
InChI=1S/C13H15N3S2/c1-16(9-7-11-5-3-2-4-6-11)13(17)15-12-14-8-10-18-12/h2-6,8,10H,7,9H2,1H3,(H,14,15,17)
InChIKey
GNIVISADJSXJMQ-UHFFFAOYSA-N
Compound name
1-methyl-1-(2-phenylethyl)-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

277.07074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07802 160.9
[M+Na]+ 300.05996 167.7
[M-H]- 276.06346 167.4
[M+NH4]+ 295.10456 178.2
[M+K]+ 316.03390 162.9
[M+H-H2O]+ 260.06800 153.1
[M+HCOO]- 322.06894 176.0
[M+CH3COO]- 336.08459 201.5
[M+Na-2H]- 298.04541 161.5
[M]+ 277.07019 162.7
[M]- 277.07129 162.7
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