CID 85746

14507-49-4

Structural Information

Molecular Formula
C20H30O2
SMILES
CCC12CCC3C(C1CC(C2)O)CCC4=C3CC=C(C4)OC
InChI
InChI=1S/C20H30O2/c1-3-20-9-8-17-16-7-5-15(22-2)10-13(16)4-6-18(17)19(20)11-14(21)12-20/h5,14,17-19,21H,3-4,6-12H2,1-2H3
InChIKey
BIUKNRSGOGLWJB-UHFFFAOYSA-N
Compound name
13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.6
[M+Na]+ 325.21380 180.2
[M-H]- 301.21730 178.7
[M+NH4]+ 320.25840 196.8
[M+K]+ 341.18774 174.5
[M+H-H2O]+ 285.22184 169.1
[M+HCOO]- 347.22278 186.3
[M+CH3COO]- 361.23843 184.6
[M+Na-2H]- 323.19925 175.7
[M]+ 302.22403 170.1
[M]- 302.22513 170.1
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.