CID 3063436

Chromone-2-carboxylic acid, 7-methoxy-8-(piperidinomethyl)-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C19H23NO5
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)OC)CN3CCCCC3
InChI
InChI=1S/C19H23NO5/c1-3-24-19(22)17-11-15(21)13-7-8-16(23-2)14(18(13)25-17)12-20-9-5-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKey
WMUIXYMQPOQXLO-UHFFFAOYSA-N
Compound name
ethyl 7-methoxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.15762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16490 180.3
[M+Na]+ 368.14684 186.5
[M-H]- 344.15034 186.5
[M+NH4]+ 363.19144 191.6
[M+K]+ 384.12078 184.7
[M+H-H2O]+ 328.15488 170.7
[M+HCOO]- 390.15582 196.3
[M+CH3COO]- 404.17147 212.5
[M+Na-2H]- 366.13229 182.7
[M]+ 345.15707 183.2
[M]- 345.15817 183.2
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.