CID 978381

7-methyl-9-(2-(naphthalen-2-yl)-2-oxoethoxy)-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C25H20O4
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H20O4/c1-15-11-22(24-19-7-4-8-20(19)25(27)29-23(24)12-15)28-14-21(26)18-10-9-16-5-2-3-6-17(16)13-18/h2-3,5-6,9-13H,4,7-8,14H2,1H3
InChIKey
OEDGJPIQWQFICO-UHFFFAOYSA-N
Compound name
7-methyl-9-(2-naphthalen-2-yl-2-oxoethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.143446 190.9
[M+Na]+ 407.125388 200.5
[M-H]- 383.128894 201.5
[M+NH4]+ 402.169993 205.7
[M+K]+ 423.099328 195.8
[M+H-H2O]+ 367.133430 182.1
[M+HCOO]- 429.134371 210.0
[M+CH3COO]- 443.150021 202.1
[M+Na-2H]- 405.110836 194.5
[M]+ 384.13562142 196.3
[M]- 384.13671858 196.3
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.