CID 10970376

Corymbosin

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-9,20H,1-4H3
InChIKey
FLCVGMVLNHYJAW-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

115
Patents

358.10526 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.112536 179.5
[M+Na]+ 381.094478 190.4
[M-H]- 357.097984 188.1
[M+NH4]+ 376.139083 192.0
[M+K]+ 397.068418 189.6
[M+H-H2O]+ 341.102520 170.8
[M+HCOO]- 403.103461 200.6
[M+CH3COO]- 417.119111 215.4
[M+Na-2H]- 379.079926 183.7
[M]+ 358.10471142 189.9
[M]- 358.10580858 189.9
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