CID 2894904

Ethyl [(3-methyl-6-oxo-7,8,9,10-tetrahydro-6h-benzo[c]chromen-1-yl)oxy](phenyl)acetate

Structural Information

Molecular Formula
C24H24O5
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=CC(=CC3=C2C4=C(CCCC4)C(=O)O3)C
InChI
InChI=1S/C24H24O5/c1-3-27-24(26)22(16-9-5-4-6-10-16)28-19-13-15(2)14-20-21(19)17-11-7-8-12-18(17)23(25)29-20/h4-6,9-10,13-14,22H,3,7-8,11-12H2,1-2H3
InChIKey
IPNYTKGRGODNKH-UHFFFAOYSA-N
Compound name
ethyl 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.16238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16966 192.8
[M+Na]+ 415.15160 198.5
[M-H]- 391.15510 201.0
[M+NH4]+ 410.19620 204.0
[M+K]+ 431.12554 196.0
[M+H-H2O]+ 375.15964 182.9
[M+HCOO]- 437.16058 208.3
[M+CH3COO]- 451.17623 223.2
[M+Na-2H]- 413.13705 195.2
[M]+ 392.16183 196.0
[M]- 392.16293 196.0
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.