CID 499595

Nsc687116

Structural Information

Molecular Formula
C20H28O2
SMILES
CC12CCC3C(C1CCC2OC)CCC4=C3C=CC(=C4)OC
InChI
InChI=1S/C20H28O2/c1-20-11-10-16-15-7-5-14(21-2)12-13(15)4-6-17(16)18(20)8-9-19(20)22-3/h5,7,12,16-19H,4,6,8-11H2,1-3H3
InChIKey
UJVDXOJUUSHVJY-UHFFFAOYSA-N
Compound name
3,17-dimethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.20892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 174.1
[M+Na]+ 323.19814 180.1
[M-H]- 299.20164 179.1
[M+NH4]+ 318.24274 196.2
[M+K]+ 339.17208 175.2
[M+H-H2O]+ 283.20618 167.1
[M+HCOO]- 345.20712 187.9
[M+CH3COO]- 359.22277 184.4
[M+Na-2H]- 321.18359 175.6
[M]+ 300.20837 171.9
[M]- 300.20947 171.9
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.