CID 10495449

Leridol

Structural Information

Molecular Formula
C18H18O5
SMILES
CC1=C2C(=C(C(=C1OC)CO)O)C(=O)CC(O2)C3=CC=CC=C3
InChI
InChI=1S/C18H18O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,14,19,21H,8-9H2,1-2H3
InChIKey
NYMCJKZZZIZEPS-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(hydroxymethyl)-7-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

314.11542 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 171.2
[M+Na]+ 337.10464 179.9
[M-H]- 313.10814 177.5
[M+NH4]+ 332.14924 184.6
[M+K]+ 353.07858 177.0
[M+H-H2O]+ 297.11268 163.7
[M+HCOO]- 359.11362 188.2
[M+CH3COO]- 373.12927 204.9
[M+Na-2H]- 335.09009 174.2
[M]+ 314.11487 173.5
[M]- 314.11597 173.5
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

patents stripe