CID 983938

3-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C23H22O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H22O5/c1-14-21(27-13-20(24)15-7-9-16(26-2)10-8-15)12-11-18-17-5-3-4-6-19(17)23(25)28-22(14)18/h7-12H,3-6,13H2,1-2H3
InChIKey
RSBFSKMYAAMXDZ-UHFFFAOYSA-N
Compound name
3-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 188.4
[M+Na]+ 401.13595 195.7
[M-H]- 377.13945 197.1
[M+NH4]+ 396.18055 200.5
[M+K]+ 417.10989 192.9
[M+H-H2O]+ 361.14399 178.6
[M+HCOO]- 423.14493 205.2
[M+CH3COO]- 437.16058 221.3
[M+Na-2H]- 399.12140 191.7
[M]+ 378.14618 192.4
[M]- 378.14728 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.