CID 89195

19669-65-9

Structural Information

Molecular Formula
C22H32O3
SMILES
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(C4)(OC)OC
InChI
InChI=1S/C22H32O3/c1-5-21(23)12-10-19-18-7-6-15-14-22(24-3,25-4)13-9-16(15)17(18)8-11-20(19,21)2/h1,17-19,23H,6-14H2,2-4H3
InChIKey
MSUVOSKVTATSHE-UHFFFAOYSA-N
Compound name
17-ethynyl-3,3-dimethoxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 187.1
[M+Na]+ 367.22436 197.9
[M-H]- 343.22786 189.5
[M+NH4]+ 362.26896 208.5
[M+K]+ 383.19830 184.5
[M+H-H2O]+ 327.23240 176.0
[M+HCOO]- 389.23334 192.2
[M+CH3COO]- 403.24899 194.8
[M+Na-2H]- 365.20981 187.5
[M]+ 344.23459 178.4
[M]- 344.23569 178.4
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.