CID 13711393

Piperazine, 1-(cyclohexylmethyl)-4-(2-pyridinyl)-, ethanedioate (1:2)

Structural Information

Molecular Formula
C16H25N3
SMILES
C1CCC(CC1)CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C16H25N3/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKey
BNVNVGJYOJMNPT-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.20483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.21211 165.6
[M+Na]+ 282.19405 167.2
[M-H]- 258.19755 168.5
[M+NH4]+ 277.23865 176.8
[M+K]+ 298.16799 162.6
[M+H-H2O]+ 242.20209 153.6
[M+HCOO]- 304.20303 177.7
[M+CH3COO]- 318.21868 173.3
[M+Na-2H]- 280.17950 167.8
[M]+ 259.20428 155.7
[M]- 259.20538 155.7
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

patents stripe