CID 3068674

2,3-dihydro-n,n-dimethyl-5-phenyl-1,4-benzoxazepine-3-ethanamine dihydrochloride

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)CCC1COC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-21(2)13-12-16-14-22-18-11-7-6-10-17(18)19(20-16)15-8-4-3-5-9-15/h3-11,16H,12-14H2,1-2H3
InChIKey
DVDCASOHDRAHPA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-phenyl-2,3-dihydro-1,4-benzoxazepin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 173.4
[M+Na]+ 317.16244 186.2
[M+NH4]+ 312.20704 181.5
[M+K]+ 333.13638 179.1
[M-H]- 293.16594 180.0
[M+Na-2H]- 315.14789 181.4
[M]+ 294.17267 177.3
[M]- 294.17377 177.3
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.