CID 3001085

149488-33-5

Structural Information

Molecular Formula
C15H19N3OS2
SMILES
CC(C)OC1=CC=CC(=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C15H19N3OS2/c1-11(2)19-13-5-3-4-12(10-13)6-7-16-14(20)18-15-17-8-9-21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,16,17,18,20)
InChIKey
FERBSDMHYCEOGB-UHFFFAOYSA-N
Compound name
1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

321.09695 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10423 172.2
[M+Na]+ 344.08617 178.1
[M-H]- 320.08967 177.1
[M+NH4]+ 339.13077 187.1
[M+K]+ 360.06011 172.4
[M+H-H2O]+ 304.09421 164.4
[M+HCOO]- 366.09515 185.3
[M+CH3COO]- 380.11080 208.0
[M+Na-2H]- 342.07162 171.3
[M]+ 321.09640 174.6
[M]- 321.09750 174.6
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.