CID 3001165

Thiourea, n-(2-(3-methoxyphenyl)ethyl)-n'-2-thiazolyl-

Structural Information

Molecular Formula
C13H15N3OS2
SMILES
COC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C13H15N3OS2/c1-17-11-4-2-3-10(9-11)5-6-14-12(18)16-13-15-7-8-19-13/h2-4,7-9H,5-6H2,1H3,(H2,14,15,16,18)
InChIKey
TXUPZNCSUKFSFG-UHFFFAOYSA-N
Compound name
1-[2-(3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

293.06564 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07292 163.1
[M+Na]+ 316.05486 170.3
[M-H]- 292.05836 168.4
[M+NH4]+ 311.09946 179.3
[M+K]+ 332.02880 164.5
[M+H-H2O]+ 276.06290 155.5
[M+HCOO]- 338.06384 178.0
[M+CH3COO]- 352.07949 201.3
[M+Na-2H]- 314.04031 164.0
[M]+ 293.06509 165.3
[M]- 293.06619 165.3
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.