CID 2274215

3-(2-oxo-2-phenylethoxy)-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C21H18O4
SMILES
C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C21H18O4/c22-19(14-6-2-1-3-7-14)13-24-15-10-11-17-16-8-4-5-9-18(16)21(23)25-20(17)12-15/h1-3,6-7,10-12H,4-5,8-9,13H2
InChIKey
FATIAOIGJIMOAN-UHFFFAOYSA-N
Compound name
3-phenacyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12778 175.5
[M+Na]+ 357.10972 182.3
[M-H]- 333.11322 184.0
[M+NH4]+ 352.15432 189.1
[M+K]+ 373.08366 178.9
[M+H-H2O]+ 317.11776 166.1
[M+HCOO]- 379.11870 193.0
[M+CH3COO]- 393.13435 186.2
[M+Na-2H]- 355.09517 181.3
[M]+ 334.11995 176.7
[M]- 334.12105 176.7
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.