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]+ 284.142716 166.7
[M+Na]+ 306.124658 173.0
[M-H]- 282.128164 169.0
[M+NH4]+ 301.169263 181.1
[M+K]+ 322.098598 170.1
[M+H-H2O]+ 266.132700 158.2
[M+HCOO]- 328.133641 178.7
[M+CH3COO]- 342.149291 196.8
[M+Na-2H]- 304.110106 164.0
[M]+ 283.13489142 168.1
[M]- 283.13598858 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.