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 188.0
[M+Na]+ 374.18389 191.6
[M-H]- 350.18739 191.8
[M+NH4]+ 369.22849 195.7
[M+K]+ 390.15783 185.7
[M+H-H2O]+ 334.19193 175.5
[M+HCOO]- 396.19287 202.5
[M+CH3COO]- 410.20852 212.3
[M+Na-2H]- 372.16934 189.1
[M]+ 351.19412 185.1
[M]- 351.19522 185.1
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.