CID 11500131

8-hydroxy mirtazapine

Structural Information

Molecular Formula
C17H19N3O
SMILES
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O
InChI
InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3
InChIKey
DAWYIZBOUQIVNX-UHFFFAOYSA-N
Compound name
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 166.3
[M+Na]+ 304.142018 174.2
[M-H]- 280.145524 168.4
[M+NH4]+ 299.186623 180.1
[M+K]+ 320.115958 171.5
[M+H-H2O]+ 264.150060 157.4
[M+HCOO]- 326.151001 177.9
[M+CH3COO]- 340.166651 175.6
[M+Na-2H]- 302.127466 172.6
[M]+ 281.15225142 160.9
[M]- 281.15334858 160.9
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

No patent data available for this compound.