CID 208652

4h-1-benzopyran-2-carboxylic acid, 4-oxo-, 2-(1-piperazinyl)ethyl ester

Structural Information

Molecular Formula
C16H18N2O4
SMILES
C1CN(CCN1)CCOC(=O)C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C16H18N2O4/c19-13-11-15(22-14-4-2-1-3-12(13)14)16(20)21-10-9-18-7-5-17-6-8-18/h1-4,11,17H,5-10H2
InChIKey
CNVULVHFOPOISP-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylethyl 4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.3
[M+Na]+ 325.11587 182.0
[M+NH4]+ 320.16047 175.6
[M+K]+ 341.08981 176.1
[M-H]- 301.11937 172.5
[M+Na-2H]- 323.10132 174.3
[M]+ 302.12610 171.8
[M]- 302.12720 171.8
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.