CID 3052184

N-oxyajmaline

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)[O-])O
InChI
InChI=1S/C20H26N2O3/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14,25)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14-,15-,16?,17-,18+,19+,20?,22?/m0/s1
InChIKey
PTVVENUAISCPLQ-SPHUJYHJSA-N
Compound name
(9R,10S,13S,14R,16S,18R)-13-ethyl-8-methyl-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.19434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 178.7
[M+Na]+ 365.18356 189.1
[M+NH4]+ 360.22816 192.1
[M+K]+ 381.15750 183.7
[M-H]- 341.18706 178.0
[M+Na-2H]- 363.16901 173.4
[M]+ 342.19379 180.2
[M]- 342.19489 180.2
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

patents stripe