CID 22530

Mebhydrolin

Structural Information

Molecular Formula
C19H20N2
SMILES
CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
FQQIIPAOSKSOJM-UHFFFAOYSA-N
Compound name
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

1908
Patents

276.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.169936 166.0
[M+Na]+ 299.151878 174.9
[M-H]- 275.155384 171.7
[M+NH4]+ 294.196483 183.2
[M+K]+ 315.125818 168.1
[M+H-H2O]+ 259.159920 156.4
[M+HCOO]- 321.160861 184.8
[M+CH3COO]- 335.176511 177.4
[M+Na-2H]- 297.137326 170.8
[M]+ 276.16211142 165.5
[M]- 276.16320858 165.5
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