CID 23983701

5-o-methylsulochrin

Structural Information

Molecular Formula
C18H18O7
SMILES
CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC)O
InChI
InChI=1S/C18H18O7/c1-9-5-12(19)16(13(20)6-9)17(21)15-11(18(22)25-4)7-10(23-2)8-14(15)24-3/h5-8,19-20H,1-4H3
InChIKey
YLCJNMGKCHGJRF-UHFFFAOYSA-N
Compound name
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.10526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.112536 175.0
[M+Na]+ 369.094478 183.5
[M-H]- 345.097984 180.3
[M+NH4]+ 364.139083 187.3
[M+K]+ 385.068418 182.0
[M+H-H2O]+ 329.102520 167.5
[M+HCOO]- 391.103461 194.6
[M+CH3COO]- 405.119111 211.1
[M+Na-2H]- 367.079926 174.0
[M]+ 346.10471142 181.6
[M]- 346.10580858 181.6
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.