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]+ 282.16008 166.3
[M+Na]+ 304.14202 174.2
[M-H]- 280.14552 168.4
[M+NH4]+ 299.18662 180.1
[M+K]+ 320.11596 171.5
[M+H-H2O]+ 264.15006 157.4
[M+HCOO]- 326.15100 177.9
[M+CH3COO]- 340.16665 175.6
[M+Na-2H]- 302.12747 172.6
[M]+ 281.15225 160.9
[M]- 281.15335 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.