CID 54686205

Nsc647106

Structural Information

Molecular Formula
C19H15NO7
SMILES
CCOC1=CC=CC=C1NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O
InChI
InChI=1S/C19H15NO7/c1-2-26-13-6-4-3-5-12(13)20-18(24)17(23)15-16(22)11-8-7-10(21)9-14(11)27-19(15)25/h3-9,21-22H,2H2,1H3,(H,20,24)
InChIKey
CLONDOFVPCZMOZ-UHFFFAOYSA-N
Compound name
2-(4,7-dihydroxy-2-oxochromen-3-yl)-N-(2-ethoxyphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.08484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09212 181.5
[M+Na]+ 392.07406 189.2
[M-H]- 368.07756 188.0
[M+NH4]+ 387.11866 191.5
[M+K]+ 408.04800 187.5
[M+H-H2O]+ 352.08210 172.8
[M+HCOO]- 414.08304 200.6
[M+CH3COO]- 428.09869 216.1
[M+Na-2H]- 390.05951 184.9
[M]+ 369.08429 185.9
[M]- 369.08539 185.9
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.