CID 3001087

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

Structural Information

Molecular Formula
C18H17N3OS2
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCNC(=S)NC3=NC=CS3
InChI
InChI=1S/C18H17N3OS2/c23-17(21-18-20-11-12-24-18)19-10-9-14-5-4-8-16(13-14)22-15-6-2-1-3-7-15/h1-8,11-13H,9-10H2,(H2,19,20,21,23)
InChIKey
KXHQRQPUFMBQAB-UHFFFAOYSA-N
Compound name
1-[2-(3-phenoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.0813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08858 178.3
[M+Na]+ 378.07052 185.0
[M-H]- 354.07402 186.3
[M+NH4]+ 373.11512 191.6
[M+K]+ 394.04446 177.6
[M+H-H2O]+ 338.07856 169.9
[M+HCOO]- 400.07950 193.4
[M+CH3COO]- 414.09515 188.2
[M+Na-2H]- 376.05597 179.8
[M]+ 355.08075 179.9
[M]- 355.08185 179.9
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.