CID 3001328

4-[(2-ethoxy-6-methyl-4-oxo-chroman-3-ylidenemethyl)-amino]-2-hydroxy-benzoic acid

Structural Information

Molecular Formula
C20H19NO6
SMILES
CCOC1/C(=C/NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)C
InChI
InChI=1S/C20H19NO6/c1-3-26-20-15(18(23)14-8-11(2)4-7-17(14)27-20)10-21-12-5-6-13(19(24)25)16(22)9-12/h4-10,20-22H,3H2,1-2H3,(H,24,25)/b15-10+
InChIKey
SEINSAZTXVKLES-XNTDXEJSSA-N
Compound name
4-[[(Z)-(2-ethoxy-6-methyl-4-oxochromen-3-ylidene)methyl]amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.12125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 185.0
[M+Na]+ 392.11047 191.8
[M-H]- 368.11397 190.8
[M+NH4]+ 387.15507 195.4
[M+K]+ 408.08441 188.8
[M+H-H2O]+ 352.11851 176.7
[M+HCOO]- 414.11945 201.7
[M+CH3COO]- 428.13510 217.7
[M+Na-2H]- 390.09592 186.4
[M]+ 369.12070 186.6
[M]- 369.12180 186.6
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

No patent data available for this compound.