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

literature stripe

Patent stripe

patents stripe