CID 6448027

1-(3-piperidinopropionyl)-4-cinnamoylpiperazine

Structural Information

Molecular Formula
C21H29N3O2
SMILES
C1CCN(CC1)CCC(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H29N3O2/c25-20(10-9-19-7-3-1-4-8-19)23-15-17-24(18-16-23)21(26)11-14-22-12-5-2-6-13-22/h1,3-4,7-10H,2,5-6,11-18H2/b10-9+
InChIKey
QGMQFJZGICNURN-MDZDMXLPSA-N
Compound name
1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.22598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 190.2
[M+Na]+ 378.21520 189.9
[M-H]- 354.21870 192.6
[M+NH4]+ 373.25980 197.2
[M+K]+ 394.18914 184.7
[M+H-H2O]+ 338.22324 177.8
[M+HCOO]- 400.22418 199.7
[M+CH3COO]- 414.23983 211.7
[M+Na-2H]- 376.20065 187.9
[M]+ 355.22543 181.4
[M]- 355.22653 181.4
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.