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]+ 393.169656 192.8
[M+Na]+ 415.151598 198.5
[M-H]- 391.155104 201.0
[M+NH4]+ 410.196203 204.0
[M+K]+ 431.125538 196.0
[M+H-H2O]+ 375.159640 182.9
[M+HCOO]- 437.160581 208.3
[M+CH3COO]- 451.176231 223.2
[M+Na-2H]- 413.137046 195.2
[M]+ 392.16183142 196.0
[M]- 392.16292858 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.