CID 3001086

Thiourea, n-(2-(3-(hexyloxy)phenyl)ethyl)-n'-2-thiazolyl-

Structural Information

Molecular Formula
C18H25N3OS2
SMILES
CCCCCCOC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C18H25N3OS2/c1-2-3-4-5-12-22-16-8-6-7-15(14-16)9-10-19-17(23)21-18-20-11-13-24-18/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H2,19,20,21,23)
InChIKey
JBJMJOZCKSQFNY-UHFFFAOYSA-N
Compound name
1-[2-(3-hexoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.1439 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15118 183.2
[M+Na]+ 386.13312 188.1
[M-H]- 362.13662 187.4
[M+NH4]+ 381.17772 196.5
[M+K]+ 402.10706 181.2
[M+H-H2O]+ 346.14116 174.7
[M+HCOO]- 408.14210 196.5
[M+CH3COO]- 422.15775 215.9
[M+Na-2H]- 384.11857 182.0
[M]+ 363.14335 187.1
[M]- 363.14445 187.1
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.