CID 14427389

Muscomin

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C18H18O7/c1-23-17-14(21)12-13(20)10(7-9-3-5-11(19)6-4-9)8-25-16(12)15(22)18(17)24-2/h3-6,10,19,21-22H,7-8H2,1-2H3
InChIKey
PGCPWPPPMWXCMG-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

346.10526 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 177.0
[M+Na]+ 369.09448 185.5
[M-H]- 345.09798 182.2
[M+NH4]+ 364.13908 188.4
[M+K]+ 385.06842 183.6
[M+H-H2O]+ 329.10252 169.3
[M+HCOO]- 391.10346 192.6
[M+CH3COO]- 405.11911 208.9
[M+Na-2H]- 367.07993 179.1
[M]+ 346.10471 180.8
[M]- 346.10581 180.8
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.