CID 44260021

Flaccidine

Structural Information

Molecular Formula
C23H22O9
SMILES
C/C=C(/C)\C(=O)OC1=C(OC2=C(C1=O)C(=CC(=C2OC)O)O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C23H22O9/c1-6-11(2)23(27)32-22-18(26)17-13(24)10-14(25)20(30-5)21(17)31-19(22)12-7-8-15(28-3)16(9-12)29-4/h6-10,24-25H,1-5H3/b11-6-
InChIKey
NSTVGBOIHUUJLX-WDZFZDKYSA-N
Compound name
[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

442.12637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13365 200.0
[M+Na]+ 465.11559 208.8
[M-H]- 441.11909 206.9
[M+NH4]+ 460.16019 207.9
[M+K]+ 481.08953 208.5
[M+H-H2O]+ 425.12363 191.0
[M+HCOO]- 487.12457 216.8
[M+CH3COO]- 501.14022 230.7
[M+Na-2H]- 463.10104 199.3
[M]+ 442.12582 210.5
[M]- 442.12692 210.5
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

patents stripe