CID 208652

32773-98-1

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]+ 303.133926 168.5
[M+Na]+ 325.115868 173.9
[M-H]- 301.119374 171.6
[M+NH4]+ 320.160473 179.0
[M+K]+ 341.089808 170.9
[M+H-H2O]+ 285.123910 158.7
[M+HCOO]- 347.124851 182.6
[M+CH3COO]- 361.140501 199.3
[M+Na-2H]- 323.101316 173.3
[M]+ 302.12610142 166.7
[M]- 302.12719858 166.7
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.