CID 54678445

Nsc240928

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC(=C(C=C3)OC)OC)O
InChI
InChI=1S/C19H18O6/c1-22-12-5-6-13-16(10-12)25-19(21)14(18(13)20)8-11-4-7-15(23-2)17(9-11)24-3/h4-7,9-10,20H,8H2,1-3H3
InChIKey
MLCYLTBZZJVBBV-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.9
[M+Na]+ 365.09957 187.3
[M-H]- 341.10307 185.1
[M+NH4]+ 360.14417 189.9
[M+K]+ 381.07351 185.5
[M+H-H2O]+ 325.10761 168.3
[M+HCOO]- 387.10855 198.0
[M+CH3COO]- 401.12420 211.7
[M+Na-2H]- 363.08502 181.6
[M]+ 342.10980 185.4
[M]- 342.11090 185.4
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.