CID 3001084

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

Structural Information

Molecular Formula
C15H19N3OS2
SMILES
CCCOC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C15H19N3OS2/c1-2-9-19-13-5-3-4-12(11-13)6-7-16-14(20)18-15-17-8-10-21-15/h3-5,8,10-11H,2,6-7,9H2,1H3,(H2,16,17,18,20)
InChIKey
SFBMOPFFXDMZCI-UHFFFAOYSA-N
Compound name
1-[2-(3-propoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.09695 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10423 171.2
[M+Na]+ 344.08617 177.5
[M-H]- 320.08967 176.0
[M+NH4]+ 339.13077 186.2
[M+K]+ 360.06011 171.2
[M+H-H2O]+ 304.09421 163.3
[M+HCOO]- 366.09515 185.5
[M+CH3COO]- 380.11080 207.2
[M+Na-2H]- 342.07162 171.2
[M]+ 321.09640 174.1
[M]- 321.09750 174.1
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.