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

literature stripe

Patent stripe

patents stripe