CID 3068664

2,3-dihydro-n,n-dimethyl-5-phenyl-1,4-benzoxazepine-3-methanamine monohydrochloride

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-13-21-17-11-7-6-10-16(17)18(19-15)14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3
InChIKey
FJKNEDLVXBLBGE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-phenyl-2,3-dihydro-1,4-benzoxazepin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.2
[M+Na]+ 303.14678 170.7
[M-H]- 279.15028 174.0
[M+NH4]+ 298.19138 178.9
[M+K]+ 319.12072 172.6
[M+H-H2O]+ 263.15482 157.2
[M+HCOO]- 325.15576 185.5
[M+CH3COO]- 339.17141 176.4
[M+Na-2H]- 301.13223 171.7
[M]+ 280.15701 163.7
[M]- 280.15811 163.7
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.