CID 4205

Mirtazapine

Structural Information

Molecular Formula
C17H19N3
SMILES
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
InChI
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
InChIKey
RONZAEMNMFQXRA-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-hexaene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2397
References

30281
Patents

265.1579 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 162.0
[M+Na]+ 288.14712 169.6
[M-H]- 264.15062 164.9
[M+NH4]+ 283.19172 176.8
[M+K]+ 304.12106 166.6
[M+H-H2O]+ 248.15516 152.7
[M+HCOO]- 310.15610 174.9
[M+CH3COO]- 324.17175 171.8
[M+Na-2H]- 286.13257 169.3
[M]+ 265.15735 156.5
[M]- 265.15845 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.