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

2379
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

literature stripe

Patent stripe

patents stripe