CID 5744061

Ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CCOC(=O)N1CCN(CC1)CCC2=C(N=CS2)C
InChI
InChI=1S/C13H21N3O2S/c1-3-18-13(17)16-8-6-15(7-9-16)5-4-12-11(2)14-10-19-12/h10H,3-9H2,1-2H3
InChIKey
AAQSAKLFGVRCFL-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13544 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14272 166.7
[M+Na]+ 306.12466 173.0
[M-H]- 282.12816 169.0
[M+NH4]+ 301.16926 181.1
[M+K]+ 322.09860 170.1
[M+H-H2O]+ 266.13270 158.2
[M+HCOO]- 328.13364 178.7
[M+CH3COO]- 342.14929 196.8
[M+Na-2H]- 304.11011 164.0
[M]+ 283.13489 168.1
[M]- 283.13599 168.1
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.