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]+ 361.131356 186.2
[M+Na]+ 383.113298 191.4
[M-H]- 359.116804 192.5
[M+NH4]+ 378.157903 196.5
[M+K]+ 399.087238 186.6
[M+H-H2O]+ 343.121340 176.0
[M+HCOO]- 405.122281 198.3
[M+CH3COO]- 419.137931 209.1
[M+Na-2H]- 381.098746 185.4
[M]+ 360.12353142 187.3
[M]- 360.12462858 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.