CID 691432

4-methyl-2-oxo-2h-chromen-7-yl 1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C19H12O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C19H12O5/c1-11-8-18(20)24-16-10-13(6-7-14(11)16)22-19(21)17-9-12-4-2-3-5-15(12)23-17/h2-10H,1H3
InChIKey
DIRMOOMFSYOMPX-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxochromen-7-yl) 1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.06848 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07576 169.8
[M+Na]+ 343.05770 181.6
[M-H]- 319.06120 181.3
[M+NH4]+ 338.10230 185.4
[M+K]+ 359.03164 180.0
[M+H-H2O]+ 303.06574 162.7
[M+HCOO]- 365.06668 192.5
[M+CH3COO]- 379.08233 183.7
[M+Na-2H]- 341.04315 176.6
[M]+ 320.06793 178.0
[M]- 320.06903 178.0
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.