CID 659294

50995-74-9

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O
InChI
InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKey
WHCPTFFIERCDSB-UHFFFAOYSA-N
Compound name
7-(diethylamino)-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

2338
Patents

261.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 156.3
[M+Na]+ 284.08932 164.6
[M-H]- 260.09282 162.0
[M+NH4]+ 279.13392 172.7
[M+K]+ 300.06326 163.9
[M+H-H2O]+ 244.09736 149.4
[M+HCOO]- 306.09830 178.3
[M+CH3COO]- 320.11395 200.9
[M+Na-2H]- 282.07477 161.8
[M]+ 261.09955 160.9
[M]- 261.10065 160.9
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.