CID 155568

Duador

Structural Information

Molecular Formula
C26H48N2
SMILES
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)[N+]5(CCCC5)C
InChI
InChI=1S/C26H48N2/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4/h20-24H,6-19H2,1-5H3/q+2/t20-,21+,22+,23-,24-,25-,26-/m0/s1
InChIKey
CNIZXZLUTPTWET-GUDWGEGSSA-N
Compound name
(4aS,4bR,6aS,8R,10aS,10bS,12aS)-1,1,10a,12a-tetramethyl-8-(1-methylpyrrolidin-1-ium-1-yl)-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

49
Patents

388.38174 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.38902 202.9
[M+Na]+ 411.37096 204.1
[M-H]- 387.37446 205.8
[M+NH4]+ 406.41556 222.5
[M+K]+ 427.34490 186.9
[M+H-H2O]+ 371.37900 195.1
[M+HCOO]- 433.37994 203.1
[M+CH3COO]- 447.39559 211.2
[M+Na-2H]- 409.35641 202.9
[M]+ 388.38119 187.4
[M]- 388.38229 187.4
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.