CID 162817

8-hydroxymianserin

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2C=CC(=C4)O
InChI
InChI=1S/C18H20N2O/c1-19-8-9-20-17-7-6-15(21)11-14(17)10-13-4-2-3-5-16(13)18(20)12-19/h2-7,11,18,21H,8-10,12H2,1H3
InChIKey
YTMQIPGEXLWJTN-UHFFFAOYSA-N
Compound name
5-methyl-2,5-diazatetracyclo[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
1
Annotation Hits

8
References

6
Patents

280.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.2
[M+Na]+ 303.14678 172.5
[M-H]- 279.15028 168.5
[M+NH4]+ 298.19138 180.4
[M+K]+ 319.12072 169.9
[M+H-H2O]+ 263.15482 157.7
[M+HCOO]- 325.15576 177.8
[M+CH3COO]- 339.17141 174.9
[M+Na-2H]- 301.13223 171.1
[M]+ 280.15701 159.6
[M]- 280.15811 159.6
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