CID 3001101

Thiourea, n-(2-phenylpropyl)-n'-2-thiazolyl-

Structural Information

Molecular Formula
C13H15N3S2
SMILES
CC(CNC(=S)NC1=NC=CS1)C2=CC=CC=C2
InChI
InChI=1S/C13H15N3S2/c1-10(11-5-3-2-4-6-11)9-15-12(17)16-13-14-7-8-18-13/h2-8,10H,9H2,1H3,(H2,14,15,16,17)
InChIKey
NQIQJPRBRMXGMW-UHFFFAOYSA-N
Compound name
1-(2-phenylpropyl)-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
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 160.2
[M+Na]+ 300.05996 166.5
[M-H]- 276.06346 165.2
[M+NH4]+ 295.10456 176.8
[M+K]+ 316.03390 160.8
[M+H-H2O]+ 260.06800 152.7
[M+HCOO]- 322.06894 173.8
[M+CH3COO]- 336.08459 170.8
[M+Na-2H]- 298.04541 160.5
[M]+ 277.07019 160.2
[M]- 277.07129 160.2
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

No patent data available for this compound.