CID 3085244

Mianserin n-oxide

Structural Information

Molecular Formula
C18H20N2O
SMILES
C[N+]1(CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42)[O-]
InChI
InChI=1S/C18H20N2O/c1-20(21)11-10-19-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(19)13-20/h2-9,18H,10-13H2,1H3
InChIKey
VVDXWJOYXVNLLQ-UHFFFAOYSA-N
Compound name
5-methyl-5-oxido-2-aza-5-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 167.4
[M+Na]+ 303.14678 181.8
[M+NH4]+ 298.19138 178.4
[M+K]+ 319.12072 173.9
[M-H]- 279.15028 172.0
[M+Na-2H]- 301.13223 174.0
[M]+ 280.15701 171.2
[M]- 280.15811 171.2
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.