CID 207720

1,4-benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1COC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-2-6-13(7-3-1)12-18-16-14-8-4-5-9-15(14)19-11-10-17-16/h1-9H,10-12H2,(H,17,18)
InChIKey
HUKPRBXTDSLRHD-UHFFFAOYSA-N
Compound name
N-benzyl-2,3-dihydro-1,4-benzoxazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 156.5
[M+Na]+ 275.115488 161.9
[M-H]- 251.118994 163.9
[M+NH4]+ 270.160093 170.5
[M+K]+ 291.089428 162.8
[M+H-H2O]+ 235.123530 148.9
[M+HCOO]- 297.124471 177.0
[M+CH3COO]- 311.140121 167.7
[M+Na-2H]- 273.100936 165.4
[M]+ 252.12572142 152.8
[M]- 252.12681858 152.8
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.