CID 6433407

2-furanacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester

Structural Information

Molecular Formula
C19H21ClN2O3
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=CO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2O3/c20-16-3-5-17(6-4-16)22-11-9-21(10-12-22)13-15-25-19(23)8-7-18-2-1-14-24-18/h1-8,14H,9-13,15H2/b8-7+
InChIKey
PAWHVUDWZAPELM-BQYQJAHWSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12408 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13136 186.2
[M+Na]+ 383.11330 191.4
[M-H]- 359.11680 192.5
[M+NH4]+ 378.15790 196.5
[M+K]+ 399.08724 186.6
[M+H-H2O]+ 343.12134 176.0
[M+HCOO]- 405.12228 198.3
[M+CH3COO]- 419.13793 209.1
[M+Na-2H]- 381.09875 185.4
[M]+ 360.12353 187.3
[M]- 360.12463 187.3
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.