CID 3072455

142575-13-1

Structural Information

Molecular Formula
C26H44N2O
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[N+](C)(C)C)CCC4=C3C=CC(=C4)OCC[N+](C)(C)C
InChI
InChI=1S/C26H44N2O/c1-26-15-14-22-21-11-9-20(29-17-16-27(2,3)4)18-19(21)8-10-23(22)24(26)12-13-25(26)28(5,6)7/h9,11,18,22-25H,8,10,12-17H2,1-7H3/q+2/t22-,23-,24+,25+,26+/m1/s1
InChIKey
FSLOFFRQSFCNKF-JMTTVTNBSA-N
Compound name
trimethyl-[2-[[(8R,9S,13S,14S,17S)-13-methyl-17-(trimethylazaniumyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.34537 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.35265 196.0
[M+Na]+ 423.33459 208.7
[M+NH4]+ 418.37919 209.3
[M+K]+ 439.30853 201.7
[M-H]- 399.33809 203.9
[M+Na-2H]- 421.32004 201.7
[M]+ 400.34482 201.1
[M]- 400.34592 201.1
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.