CID 5272805

Methyl 4-(3-methoxy-4-oxo-chromen-2-yl)benzoate

Structural Information

Molecular Formula
C18H14O5
SMILES
COC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C18H14O5/c1-21-17-15(19)13-5-3-4-6-14(13)23-16(17)11-7-9-12(10-8-11)18(20)22-2/h3-10H,1-2H3
InChIKey
GVXDCBYNYZKDMB-UHFFFAOYSA-N
Compound name
methyl 4-(3-methoxy-4-oxochromen-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 167.8
[M+Na]+ 333.07336 177.7
[M-H]- 309.07686 177.1
[M+NH4]+ 328.11796 182.3
[M+K]+ 349.04730 176.0
[M+H-H2O]+ 293.08140 159.4
[M+HCOO]- 355.08234 190.0
[M+CH3COO]- 369.09799 205.8
[M+Na-2H]- 331.05881 173.7
[M]+ 310.08359 174.2
[M]- 310.08469 174.2
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.