CID 3001108

Pt-317

Structural Information

Molecular Formula
C15H19N3S2
SMILES
CC(C)C1=CSC(=N1)NC(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C15H19N3S2/c1-11(2)13-10-20-15(17-13)18-14(19)16-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKey
WXIISNREJKBCAO-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
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 168.7
[M+Na]+ 328.09127 174.8
[M-H]- 304.09477 173.7
[M+NH4]+ 323.13587 184.4
[M+K]+ 344.06521 168.7
[M+H-H2O]+ 288.09931 161.0
[M+HCOO]- 350.10025 181.6
[M+CH3COO]- 364.11590 206.0
[M+Na-2H]- 326.07672 167.5
[M]+ 305.10150 169.7
[M]- 305.10260 169.7
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