CID 1194354

8-acetyl-4-methyl-2-oxo-2h-chromen-7-yl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C21H18O7
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H18O7/c1-11-9-18(23)28-20-14(11)6-8-16(19(20)12(2)22)27-21(24)13-5-7-15(25-3)17(10-13)26-4/h5-10H,1-4H3
InChIKey
YUFUSDJNKYBMPP-UHFFFAOYSA-N
Compound name
(8-acetyl-4-methyl-2-oxochromen-7-yl) 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 185.1
[M+Na]+ 405.09448 194.7
[M-H]- 381.09798 194.5
[M+NH4]+ 400.13908 196.7
[M+K]+ 421.06842 194.2
[M+H-H2O]+ 365.10252 176.2
[M+HCOO]- 427.10346 205.5
[M+CH3COO]- 441.11911 222.1
[M+Na-2H]- 403.07993 187.2
[M]+ 382.10471 194.9
[M]- 382.10581 194.9
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.