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
5
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 166.4
[M+Na]+ 303.14678 172.8
[M-H]- 279.15028 169.4
[M+NH4]+ 298.19138 182.7
[M+K]+ 319.12072 165.1
[M+H-H2O]+ 263.15482 162.2
[M+HCOO]- 325.15576 179.1
[M+CH3COO]- 339.17141 194.3
[M+Na-2H]- 301.13223 174.9
[M]+ 280.15701 158.1
[M]- 280.15811 158.1
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

No patent data available for this compound.