CID 6444444

Brn 0572916

Structural Information

Molecular Formula
C20H22FN3O2
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=CC=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H22FN3O2/c21-17-4-7-19(8-5-17)24-13-11-23(12-14-24)15-16-26-20(25)9-6-18-3-1-2-10-22-18/h1-10H,11-16H2/b9-6+
InChIKey
SBKVJZBXCGHKNJ-RMKNXTFCSA-N
Compound name
2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl (E)-3-pyridin-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.16962 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17690 186.7
[M+Na]+ 378.15884 190.8
[M-H]- 354.16234 189.3
[M+NH4]+ 373.20344 194.2
[M+K]+ 394.13278 184.6
[M+H-H2O]+ 338.16688 173.4
[M+HCOO]- 400.16782 200.4
[M+CH3COO]- 414.18347 211.9
[M+Na-2H]- 376.14429 187.7
[M]+ 355.16907 182.4
[M]- 355.17017 182.4
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.