CID 3001106

Thiourea, n-(4-ethyl-2-thiazolyl)-n'-(2-phenylethyl)-

Structural Information

Molecular Formula
C14H17N3S2
SMILES
CCC1=CSC(=N1)NC(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H17N3S2/c1-2-12-10-19-14(16-12)17-13(18)15-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKey
SMLAKAQKPKAWNV-UHFFFAOYSA-N
Compound name
1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

291.0864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09368 163.7
[M+Na]+ 314.07562 170.7
[M-H]- 290.07912 168.8
[M+NH4]+ 309.12022 180.1
[M+K]+ 330.04956 164.2
[M+H-H2O]+ 274.08366 156.1
[M+HCOO]- 336.08460 178.0
[M+CH3COO]- 350.10025 202.3
[M+Na-2H]- 312.06107 163.9
[M]+ 291.08585 164.9
[M]- 291.08695 164.9
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.