CID 120014

28705-46-6

Structural Information

Molecular Formula
C16H19NO4
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC
InChI
InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N
Compound name
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1006
Patents

289.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 165.0
[M+Na]+ 312.12062 177.8
[M+NH4]+ 307.16522 172.1
[M+K]+ 328.09456 172.1
[M-H]- 288.12412 168.7
[M+Na-2H]- 310.10607 169.9
[M]+ 289.13085 167.8
[M]- 289.13195 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe