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]+ 346.164896 180.3
[M+Na]+ 368.146838 186.5
[M-H]- 344.150344 186.5
[M+NH4]+ 363.191443 191.6
[M+K]+ 384.120778 184.7
[M+H-H2O]+ 328.154880 170.7
[M+HCOO]- 390.155821 196.3
[M+CH3COO]- 404.171471 212.5
[M+Na-2H]- 366.132286 182.7
[M]+ 345.15707142 183.2
[M]- 345.15816858 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.