CID 3068668

1,4-benzoxazepine-3-methanamine, 2,3-dihydro-5-(2-chlorophenyl)-n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H19ClN2O/c1-21(2)11-13-12-22-17-10-6-4-8-15(17)18(20-13)14-7-3-5-9-16(14)19/h3-10,13H,11-12H2,1-2H3
InChIKey
PLIKQTULTPXPFJ-UHFFFAOYSA-N
Compound name
1-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 175.0
[M+Na]+ 337.10782 189.1
[M+NH4]+ 332.15242 183.5
[M+K]+ 353.08176 181.6
[M-H]- 313.11132 181.7
[M+Na-2H]- 335.09327 183.1
[M]+ 314.11805 179.5
[M]- 314.11915 179.5
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.