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]+ 265.16994 160.7
[M+Na]+ 287.15188 167.4
[M-H]- 263.15538 167.2
[M+NH4]+ 282.19648 177.8
[M+K]+ 303.12582 167.2
[M+H-H2O]+ 247.15992 154.0
[M+HCOO]- 309.16086 181.7
[M+CH3COO]- 323.17651 172.4
[M+Na-2H]- 285.13733 168.4
[M]+ 264.16211 160.1
[M]- 264.16321 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.