CID 5349583

3-benzyl-5-hydroxy-4,7-dimethyl-2h-chromen-2-one

Structural Information

Molecular Formula
C18H16O3
SMILES
CC1=CC(=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)O
InChI
InChI=1S/C18H16O3/c1-11-8-15(19)17-12(2)14(18(20)21-16(17)9-11)10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3
InChIKey
GZDMBGNCLPSXDC-UHFFFAOYSA-N
Compound name
3-benzyl-5-hydroxy-4,7-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 162.8
[M+Na]+ 303.09917 180.4
[M+NH4]+ 298.14377 171.8
[M+K]+ 319.07311 172.1
[M-H]- 279.10267 169.5
[M+Na-2H]- 301.08462 171.4
[M]+ 280.10940 167.5
[M]- 280.11050 167.5
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