CID 384022

Nsc673132

Structural Information

Molecular Formula
C19H14O6
SMILES
CC(=O)OC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC(=O)C
InChI
InChI=1S/C19H14O6/c1-11(20)23-17-8-7-13(10-18(17)24-12(2)21)15-9-14-5-3-4-6-16(14)25-19(15)22/h3-10H,1-2H3
InChIKey
ANTJASBOBCTXBJ-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-(2-oxochromen-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 174.0
[M+Na]+ 361.06826 183.1
[M-H]- 337.07176 183.1
[M+NH4]+ 356.11286 187.0
[M+K]+ 377.04220 182.0
[M+H-H2O]+ 321.07630 165.4
[M+HCOO]- 383.07724 195.1
[M+CH3COO]- 397.09289 210.6
[M+Na-2H]- 359.05371 178.3
[M]+ 338.07849 180.7
[M]- 338.07959 180.7
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.