CID 3069672

5h-dibenz(b,f)azepine-5-ethanamine, n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C18H20N2
SMILES
CN(C)CCN1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C18H20N2/c1-19(2)13-14-20-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)20/h3-12H,13-14H2,1-2H3
InChIKey
UFWPQFJMPFMUHG-UHFFFAOYSA-N
Compound name
2-benzo[b][1]benzazepin-11-yl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 160.7
[M+Na]+ 287.151878 167.4
[M-H]- 263.155384 167.2
[M+NH4]+ 282.196483 177.8
[M+K]+ 303.125818 167.2
[M+H-H2O]+ 247.159920 154.0
[M+HCOO]- 309.160861 181.7
[M+CH3COO]- 323.176511 172.4
[M+Na-2H]- 285.137326 168.4
[M]+ 264.16211142 160.1
[M]- 264.16320858 160.1
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.