CID 3008833

Ethyl 2-[2-(1-phenylpropylcarbamothioylamino)thiazol-4-yl]acetate

Structural Information

Molecular Formula
C17H21N3O2S2
SMILES
CCC(C1=CC=CC=C1)NC(=S)NC2=NC(=CS2)CC(=O)OCC
InChI
InChI=1S/C17H21N3O2S2/c1-3-14(12-8-6-5-7-9-12)19-16(23)20-17-18-13(11-24-17)10-15(21)22-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H2,18,19,20,23)
InChIKey
RMAZMICJWAMSTN-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(1-phenylpropylcarbamothioylamino)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.1075 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11478 184.6
[M+Na]+ 386.09672 189.1
[M-H]- 362.10022 189.2
[M+NH4]+ 381.14132 197.5
[M+K]+ 402.07066 183.6
[M+H-H2O]+ 346.10476 176.4
[M+HCOO]- 408.10570 196.4
[M+CH3COO]- 422.12135 215.3
[M+Na-2H]- 384.08217 182.1
[M]+ 363.10695 187.6
[M]- 363.10805 187.6
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.