CID 4184

Mianserin

Structural Information

Molecular Formula
C18H20N2
SMILES
CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42
InChI
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
InChIKey
UEQUQVLFIPOEMF-UHFFFAOYSA-N
Compound name
5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2989
References

24606
Patents

264.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 161.2
[M+Na]+ 287.15188 168.1
[M-H]- 263.15538 165.3
[M+NH4]+ 282.19648 177.3
[M+K]+ 303.12582 165.2
[M+H-H2O]+ 247.15992 153.3
[M+HCOO]- 309.16086 175.0
[M+CH3COO]- 323.17651 171.3
[M+Na-2H]- 285.13733 168.0
[M]+ 264.16211 155.4
[M]- 264.16321 155.4
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

patents stripe