CID 6444448

Brn 0838804

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCOC(=O)/C=C/C3=CN=CC=C3
InChI
InChI=1S/C21H25N3O2/c1-18-4-7-20(8-5-18)24-13-11-23(12-14-24)15-16-26-21(25)9-6-19-3-2-10-22-17-19/h2-10,17H,11-16H2,1H3/b9-6+
InChIKey
VKOHPEROCISETA-RMKNXTFCSA-N
Compound name
2-[4-(4-methylphenyl)piperazin-1-yl]ethyl (E)-3-pyridin-3-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 187.9
[M+Na]+ 374.18389 201.4
[M+NH4]+ 369.22849 194.0
[M+K]+ 390.15783 193.0
[M-H]- 350.18739 191.9
[M+Na-2H]- 372.16934 195.9
[M]+ 351.19412 190.8
[M]- 351.19522 190.8
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.