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

literature stripe

Patent stripe

patents stripe