CID 76090641

Ns00008314

Structural Information

Molecular Formula
C25H34O2
SMILES
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC34C(=O)OCC56CC4(C5)C6)C
InChI
InChI=1S/C25H34O2/c1-16(2)17-5-7-19-18(11-17)6-8-20-22(19,3)9-4-10-25(20)21(26)27-15-23-12-24(25,13-23)14-23/h6,11,16,19-20H,4-5,7-10,12-15H2,1-3H3
InChIKey
KFQMNUPIUPNWIH-UHFFFAOYSA-N
Compound name
4a-methyl-7-propan-2-ylspiro[2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1,5'-3-oxatricyclo[4.1.1.11,6]nonane]-4'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2559 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.263176 205.2
[M+Na]+ 389.245118 214.9
[M-H]- 365.248624 213.7
[M+NH4]+ 384.289723 211.4
[M+K]+ 405.219058 201.8
[M+H-H2O]+ 349.253160 204.3
[M+HCOO]- 411.254101 207.4
[M+CH3COO]- 425.269751 208.7
[M+Na-2H]- 387.230566 205.4
[M]+ 366.25535142 215.5
[M]- 366.25644858 215.5
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.