CID 362065

Nsc625587

Structural Information

Molecular Formula
C22H18O3
SMILES
CC1=C2CCC3(C2=CC=C1)C4=C(C5=C(C=CC=C5OC)C=C4)C(=O)O3
InChI
InChI=1S/C22H18O3/c1-13-5-3-7-16-15(13)11-12-22(16)17-10-9-14-6-4-8-18(24-2)19(14)20(17)21(23)25-22/h3-10H,11-12H2,1-2H3
InChIKey
PNRYXVWKRFIQCX-UHFFFAOYSA-N
Compound name
9'-methoxy-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12558 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13286 177.7
[M+Na]+ 353.11480 189.1
[M-H]- 329.11830 188.0
[M+NH4]+ 348.15940 199.7
[M+K]+ 369.08874 183.8
[M+H-H2O]+ 313.12284 171.4
[M+HCOO]- 375.12378 196.8
[M+CH3COO]- 389.13943 190.5
[M+Na-2H]- 351.10025 180.7
[M]+ 330.12503 181.5
[M]- 330.12613 181.5
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.