CID 3041238

Chromone-2-carboxylic acid, 7-hydroxy-8-(1-piperidinomethyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H21NO5
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3
InChI
InChI=1S/C18H21NO5/c1-2-23-18(22)16-10-15(21)12-6-7-14(20)13(17(12)24-16)11-19-8-4-3-5-9-19/h6-7,10,20H,2-5,8-9,11H2,1H3
InChIKey
YZRMHZFSLHYFQT-UHFFFAOYSA-N
Compound name
ethyl 7-hydroxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.14197 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.149246 176.0
[M+Na]+ 354.131188 182.3
[M-H]- 330.134694 181.1
[M+NH4]+ 349.175793 187.3
[M+K]+ 370.105128 179.9
[M+H-H2O]+ 314.139230 167.0
[M+HCOO]- 376.140171 190.9
[M+CH3COO]- 390.155821 207.3
[M+Na-2H]- 352.116636 178.5
[M]+ 331.14142142 176.8
[M]- 331.14251858 176.8
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

patents stripe