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

literature stripe

Patent stripe

patents stripe