CID 3041242

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

Structural Information

Molecular Formula
C17H21NO5
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=CC2=O)C(=O)OCC)O
InChI
InChI=1S/C17H21NO5/c1-4-18(5-2)10-12-13(19)8-7-11-14(20)9-15(23-16(11)12)17(21)22-6-3/h7-9,19H,4-6,10H2,1-3H3
InChIKey
OEDUGTFVWOZNAC-UHFFFAOYSA-N
Compound name
ethyl 8-(diethylaminomethyl)-7-hydroxy-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 173.3
[M+Na]+ 342.13119 181.1
[M-H]- 318.13469 178.9
[M+NH4]+ 337.17579 187.6
[M+K]+ 358.10513 180.5
[M+H-H2O]+ 302.13923 165.8
[M+HCOO]- 364.14017 194.5
[M+CH3COO]- 378.15582 212.8
[M+Na-2H]- 340.11664 176.6
[M]+ 319.14142 180.8
[M]- 319.14252 180.8
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.