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

4
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

literature stripe

Patent stripe

patents stripe