CID 360923

Nsc623637

Structural Information

Molecular Formula
C19H16O5
SMILES
CC1=CC2=C(C=C1)OC(=O)C=C2COC3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C19H16O5/c1-12-7-8-17-15(9-12)13(10-18(20)24-17)11-23-16-6-4-3-5-14(16)19(21)22-2/h3-10H,11H2,1-2H3
InChIKey
AEWJHLXXHVQICB-UHFFFAOYSA-N
Compound name
methyl 2-[(6-methyl-2-oxochromen-4-yl)methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.6
[M+Na]+ 347.08898 182.0
[M-H]- 323.09248 181.7
[M+NH4]+ 342.13358 186.5
[M+K]+ 363.06292 180.1
[M+H-H2O]+ 307.09702 164.0
[M+HCOO]- 369.09796 194.4
[M+CH3COO]- 383.11361 208.7
[M+Na-2H]- 345.07443 177.9
[M]+ 324.09921 179.3
[M]- 324.10031 179.3
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.