CID 85746

13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol

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
2
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]+ 303.231856 175.6
[M+Na]+ 325.213798 180.2
[M-H]- 301.217304 178.7
[M+NH4]+ 320.258403 196.8
[M+K]+ 341.187738 174.5
[M+H-H2O]+ 285.221840 169.1
[M+HCOO]- 347.222781 186.3
[M+CH3COO]- 361.238431 184.6
[M+Na-2H]- 323.199246 175.7
[M]+ 302.22403142 170.1
[M]- 302.22512858 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.