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

literature stripe

Patent stripe

patents stripe