CID 206952

5h-dibenz(b,f)azepine, 10-(dimethylaminomethyl)-5-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H20N2
SMILES
CN1C2=CC=CC=C2C=C(C3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C18H20N2/c1-19(2)13-15-12-14-8-4-6-10-17(14)20(3)18-11-7-5-9-16(15)18/h4-12H,13H2,1-3H3
InChIKey
VIVBMTGSDSNNKX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(11-methylbenzo[b][1]benzazepin-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 160.8
[M+Na]+ 287.151878 168.4
[M-H]- 263.155384 167.7
[M+NH4]+ 282.196483 178.2
[M+K]+ 303.125818 168.3
[M+H-H2O]+ 247.159920 154.2
[M+HCOO]- 309.160861 181.8
[M+CH3COO]- 323.176511 172.8
[M+Na-2H]- 285.137326 167.8
[M]+ 264.16211142 160.6
[M]- 264.16320858 160.6
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