CID 484449

Nceipkakewheck-cgbfiwbnsa-n

Structural Information

Molecular Formula
C20H28O2
SMILES
CC(C)C1=C(C=CC2=C1[C@H]3[C@H](O3)[C@@H]4[C@@]2(CCCC4(C)C)C)O
InChI
InChI=1S/C20H28O2/c1-11(2)14-13(21)8-7-12-15(14)16-17(22-16)18-19(3,4)9-6-10-20(12,18)5/h7-8,11,16-18,21H,6,9-10H2,1-5H3/t16-,17-,18-,20+/m0/s1
InChIKey
NCEIPKAKEWHECK-CGBFIWBNSA-N
Compound name
(1aR,1bS,5aS,9bS)-2,2,5a-trimethyl-9-propan-2-yl-1a,1b,3,4,5,9b-hexahydrophenanthro[9,10-b]oxiren-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 172.8
[M+Na]+ 323.19814 182.5
[M-H]- 299.20164 178.7
[M+NH4]+ 318.24274 188.8
[M+K]+ 339.17208 179.8
[M+H-H2O]+ 283.20618 167.0
[M+HCOO]- 345.20712 183.0
[M+CH3COO]- 359.22277 183.2
[M+Na-2H]- 321.18359 176.8
[M]+ 300.20837 175.9
[M]- 300.20947 175.9
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

No patent data available for this compound.