CID 2062390

3-[(3-methylbenzyl)oxy]-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C21H20O3
SMILES
CC1=CC(=CC=C1)COC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3
InChI
InChI=1S/C21H20O3/c1-14-5-4-6-15(11-14)13-23-16-9-10-18-17-7-2-3-8-19(17)21(22)24-20(18)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3
InChIKey
FQRHOHYQPVDGHD-UHFFFAOYSA-N
Compound name
3-[(3-methylphenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.14124 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 174.1
[M+Na]+ 343.13046 191.3
[M+NH4]+ 338.17506 184.1
[M+K]+ 359.10440 181.7
[M-H]- 319.13396 182.0
[M+Na-2H]- 341.11591 182.3
[M]+ 320.14069 179.2
[M]- 320.14179 179.2
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.