CID 28161011

1-[(2s)-pyrrolidine-2-carbonyl]-4-(1,3-thiazol-2-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C12H18N4OS
SMILES
C1C[C@H](NC1)C(=O)N2CCN(CC2)C3=NC=CS3
InChI
InChI=1S/C12H18N4OS/c17-11(10-2-1-3-13-10)15-5-7-16(8-6-15)12-14-4-9-18-12/h4,9-10,13H,1-3,5-8H2/t10-/m0/s1
InChIKey
WCQJTNNTCAJNEC-JTQLQIEISA-N
Compound name
[(2S)-pyrrolidin-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12012 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12740 160.5
[M+Na]+ 289.10934 169.0
[M+NH4]+ 284.15394 167.5
[M+K]+ 305.08328 165.7
[M-H]- 265.11284 162.2
[M+Na-2H]- 287.09479 164.5
[M]+ 266.11957 162.1
[M]- 266.12067 162.1
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.