CID 24184

Brn 0961146

Structural Information

Molecular Formula
C19H20N2
SMILES
C1CN(CCC2=C1C3=CC=CC=C3N2)CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2/c1-2-6-15(7-3-1)14-21-12-10-17-16-8-4-5-9-18(16)20-19(17)11-13-21/h1-9,20H,10-14H2
InChIKey
WOFLJLUPWUTFQQ-UHFFFAOYSA-N
Compound name
3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.16266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.169936 166.0
[M+Na]+ 299.151878 173.0
[M-H]- 275.155384 171.6
[M+NH4]+ 294.196483 181.5
[M+K]+ 315.125818 169.0
[M+H-H2O]+ 259.159920 158.1
[M+HCOO]- 321.160861 183.1
[M+CH3COO]- 335.176511 176.2
[M+Na-2H]- 297.137326 170.8
[M]+ 276.16211142 160.8
[M]- 276.16320858 160.8
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

patents stripe