CID 6444447

Brn 0568239

Structural Information

Molecular Formula
C21H25N3O2
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CN=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H25N3O2/c25-21(9-8-19-7-4-10-22-17-19)26-16-15-23-11-13-24(14-12-23)18-20-5-2-1-3-6-20/h1-10,17H,11-16,18H2/b9-8+
InChIKey
YGCCBPBCNOPHER-CMDGGOBGSA-N
Compound name
2-(4-benzylpiperazin-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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 187.4
[M+Na]+ 374.18389 190.1
[M-H]- 350.18739 190.8
[M+NH4]+ 369.22849 194.8
[M+K]+ 390.15783 184.1
[M+H-H2O]+ 334.19193 174.7
[M+HCOO]- 396.19287 201.9
[M+CH3COO]- 410.20852 211.1
[M+Na-2H]- 372.16934 189.3
[M]+ 351.19412 184.0
[M]- 351.19522 184.0
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.