CID 53495184

1188966-75-7

Structural Information

Molecular Formula
C23H24O2
SMILES
CC1=C[C@H]2[C@H](C[C@@H]1C=C2C(=O)OC3=CC4=CC=CC=C4C=C3)C(C)C
InChI
InChI=1S/C23H24O2/c1-14(2)20-12-18-13-22(21(20)10-15(18)3)23(24)25-19-9-8-16-6-4-5-7-17(16)11-19/h4-11,13-14,18,20-21H,12H2,1-3H3/t18-,20-,21+/m1/s1
InChIKey
GVTUQEGQEVADFM-NRSPTQNISA-N
Compound name
naphthalen-2-yl (1R,4R,7R)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.17764 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18492 180.1
[M+Na]+ 355.16686 183.8
[M-H]- 331.17036 180.7
[M+NH4]+ 350.21146 198.7
[M+K]+ 371.14080 179.2
[M+H-H2O]+ 315.17490 171.9
[M+HCOO]- 377.17584 189.2
[M+CH3COO]- 391.19149 188.2
[M+Na-2H]- 353.15231 186.4
[M]+ 332.17709 183.9
[M]- 332.17819 183.9
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

patents stripe