CID 170126

Aconosine

Structural Information

Molecular Formula
C22H35NO4
SMILES
CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC
InChI
InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3
InChIKey
VCOQRRVEIUTMFC-UHFFFAOYSA-N
Compound name
11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

377.25662 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26390 192.7
[M+Na]+ 400.24584 198.7
[M+NH4]+ 395.29044 204.5
[M+K]+ 416.21978 192.6
[M-H]- 376.24934 191.9
[M+Na-2H]- 398.23129 187.3
[M]+ 377.25607 193.3
[M]- 377.25717 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.