CID 168151

O(sup 1)-methyllappaconidine

Structural Information

Molecular Formula
C23H37NO6
SMILES
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)O)OC)O
InChI
InChI=1S/C23H37NO6/c1-5-24-10-21(26)7-6-14(29-3)23-12-8-11-13(28-2)9-22(27,15(12)18(11)30-4)16(20(23)24)17(25)19(21)23/h11-20,25-27H,5-10H2,1-4H3
InChIKey
PTILZYWJYHNZDS-UHFFFAOYSA-N
Compound name
11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,18-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2621 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.26938 199.0
[M+Na]+ 446.25132 203.5
[M-H]- 422.25482 196.5
[M+NH4]+ 441.29592 220.6
[M+K]+ 462.22526 198.1
[M+H-H2O]+ 406.25936 193.1
[M+HCOO]- 468.26030 197.7
[M+CH3COO]- 482.27595 204.6
[M+Na-2H]- 444.23677 197.9
[M]+ 423.26155 199.1
[M]- 423.26265 199.1
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

patents stripe