CID 3001172

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

Structural Information

Molecular Formula
C14H17N3OS2
SMILES
CCOC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C14H17N3OS2/c1-2-18-12-5-3-4-11(10-12)6-7-15-13(19)17-14-16-8-9-20-14/h3-5,8-10H,2,6-7H2,1H3,(H2,15,16,17,19)
InChIKey
ZLAVJBBRIDICHK-UHFFFAOYSA-N
Compound name
1-[2-(3-ethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

307.0813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08858 167.2
[M+Na]+ 330.07052 173.9
[M-H]- 306.07402 172.2
[M+NH4]+ 325.11512 182.8
[M+K]+ 346.04446 167.9
[M+H-H2O]+ 290.07856 159.4
[M+HCOO]- 352.07950 181.7
[M+CH3COO]- 366.09515 204.3
[M+Na-2H]- 328.05597 167.6
[M]+ 307.08075 169.7
[M]- 307.08185 169.7
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.