CID 3001107

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

Structural Information

Molecular Formula
C15H19N3S2
SMILES
CCCC1=CSC(=N1)NC(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C15H19N3S2/c1-2-6-13-11-20-15(17-13)18-14(19)16-10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H2,16,17,18,19)
InChIKey
YVTPTTMDIAAXHM-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-(4-propyl-1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

305.10205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10933 167.7
[M+Na]+ 328.09127 174.3
[M-H]- 304.09477 172.7
[M+NH4]+ 323.13587 183.6
[M+K]+ 344.06521 167.6
[M+H-H2O]+ 288.09931 160.0
[M+HCOO]- 350.10025 181.8
[M+CH3COO]- 364.11590 205.2
[M+Na-2H]- 326.07672 167.5
[M]+ 305.10150 169.3
[M]- 305.10260 169.3
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.