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

1
Patents

264.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 160.8
[M+Na]+ 287.15188 168.4
[M-H]- 263.15538 167.7
[M+NH4]+ 282.19648 178.2
[M+K]+ 303.12582 168.3
[M+H-H2O]+ 247.15992 154.2
[M+HCOO]- 309.16086 181.8
[M+CH3COO]- 323.17651 172.8
[M+Na-2H]- 285.13733 167.8
[M]+ 264.16211 160.6
[M]- 264.16321 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