CID 24864132

Oxymatrine

Structural Information

Molecular Formula
C15H24N2O2
SMILES
C1C[C@@H]2[C@H]3CCC[N@+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
InChI
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17+/m0/s1
InChIKey
XVPBINOPNYFXID-JARXUMMXSA-N
Compound name
(1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

472
References

3144
Patents

264.18378 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 162.0
[M+Na]+ 287.172998 163.9
[M-H]- 263.176504 160.6
[M+NH4]+ 282.217603 179.1
[M+K]+ 303.146938 154.8
[M+H-H2O]+ 247.181040 157.0
[M+HCOO]- 309.181981 167.2
[M+CH3COO]- 323.197631 189.0
[M+Na-2H]- 285.158446 167.2
[M]+ 264.18323142 149.1
[M]- 264.18432858 149.1
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