CID 91466

Matrine

Structural Information

Molecular Formula
C15H24N2O
SMILES
C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1
InChI
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1
InChIKey
ZSBXGIUJOOQZMP-JLNYLFASSA-N
Compound name
(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

968
References

14110
Patents

248.18886 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 159.4
[M+Na]+ 271.178078 161.6
[M-H]- 247.181584 159.1
[M+NH4]+ 266.222683 176.3
[M+K]+ 287.152018 157.2
[M+H-H2O]+ 231.186120 149.7
[M+HCOO]- 293.187061 165.6
[M+CH3COO]- 307.202711 167.1
[M+Na-2H]- 269.163526 162.1
[M]+ 248.18831142 148.9
[M]- 248.18940858 148.9
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