CID 54676276

Nsc648626

Structural Information

Molecular Formula
C19H13NO6
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H13NO6/c1-10(21)11-5-4-6-12(9-11)20-18(24)17(23)15-16(22)13-7-2-3-8-14(13)26-19(15)25/h2-9,22H,1H3,(H,20,24)
InChIKey
NMWUPSRKKGTYBN-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.07428 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 177.2
[M+Na]+ 374.06350 184.8
[M-H]- 350.06700 184.9
[M+NH4]+ 369.10810 188.3
[M+K]+ 390.03744 183.0
[M+H-H2O]+ 334.07154 168.7
[M+HCOO]- 396.07248 197.0
[M+CH3COO]- 410.08813 214.7
[M+Na-2H]- 372.04895 180.5
[M]+ 351.07373 180.3
[M]- 351.07483 180.3
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.