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 161.8
[M+Na]+ 289.10934 166.9
[M-H]- 265.11284 164.6
[M+NH4]+ 284.15394 175.8
[M+K]+ 305.08328 163.5
[M+H-H2O]+ 249.11738 152.9
[M+HCOO]- 311.11832 170.9
[M+CH3COO]- 325.13397 170.8
[M+Na-2H]- 287.09479 157.1
[M]+ 266.11957 155.8
[M]- 266.12067 155.8
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.