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 169.7
[M+Na]+ 317.16244 174.8
[M-H]- 293.16594 178.4
[M+NH4]+ 312.20704 182.9
[M+K]+ 333.13638 176.4
[M+H-H2O]+ 277.17048 161.5
[M+HCOO]- 339.17142 189.7
[M+CH3COO]- 353.18707 180.5
[M+Na-2H]- 315.14789 175.6
[M]+ 294.17267 168.6
[M]- 294.17377 168.6
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

No patent data available for this compound.