CID 10811599

(2e)-5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4h-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid

Structural Information

Molecular Formula
C22H20O8
SMILES
C/C=C(\C)/C(=O)OC1=C2C(=C(C(=C1O)OC)O)C(=O)C(=C(O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C22H20O8/c1-5-11(2)22(26)30-21-16(25)19(27-3)14(23)13-15(24)20(28-4)17(29-18(13)21)12-9-7-6-8-10-12/h5-10,23,25H,1-4H3/b11-5+
InChIKey
ODAKJIXAIBHVIC-VZUCSPMQSA-N
Compound name
(5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12308 193.3
[M+Na]+ 435.10502 202.1
[M-H]- 411.10852 200.2
[M+NH4]+ 430.14962 202.4
[M+K]+ 451.07896 201.0
[M+H-H2O]+ 395.11306 184.7
[M+HCOO]- 457.11400 210.4
[M+CH3COO]- 471.12965 223.9
[M+Na-2H]- 433.09047 193.5
[M]+ 412.11525 201.7
[M]- 412.11635 201.7
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.