CID 3001260

1-(4-ethylthiazol-2-yl)-3-[2-(2-pyridyl)ethyl]thiourea

Structural Information

Molecular Formula
C13H16N4S2
SMILES
CCC1=CSC(=N1)NC(=S)NCCC2=CC=CC=N2
InChI
InChI=1S/C13H16N4S2/c1-2-10-9-19-13(16-10)17-12(18)15-8-6-11-5-3-4-7-14-11/h3-5,7,9H,2,6,8H2,1H3,(H2,15,16,17,18)
InChIKey
IUDVFMZWUSMWPI-UHFFFAOYSA-N
Compound name
1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-pyridin-2-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.08163 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08891 162.5
[M+Na]+ 315.07085 170.1
[M-H]- 291.07435 166.5
[M+NH4]+ 310.11545 177.6
[M+K]+ 331.04479 163.6
[M+H-H2O]+ 275.07889 154.5
[M+HCOO]- 337.07983 176.0
[M+CH3COO]- 351.09548 173.0
[M+Na-2H]- 313.05630 163.2
[M]+ 292.08108 163.9
[M]- 292.08218 163.9
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

No patent data available for this compound.