CID 42607880

Leridal

Structural Information

Molecular Formula
C18H16O5
SMILES
CC1=C2C(=C(C(=C1OC)C=O)O)C(=O)CC(O2)C3=CC=CC=C3
InChI
InChI=1S/C18H16O5/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/h3-7,9,14,21H,8H2,1-2H3
InChIKey
HGTSZOYDQGUVER-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-8-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

312.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.3
[M+Na]+ 335.08898 178.7
[M-H]- 311.09248 177.0
[M+NH4]+ 330.13358 183.4
[M+K]+ 351.06292 176.1
[M+H-H2O]+ 295.09702 161.5
[M+HCOO]- 357.09796 188.0
[M+CH3COO]- 371.11361 206.5
[M+Na-2H]- 333.07443 172.7
[M]+ 312.09921 172.6
[M]- 312.10031 172.6
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