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]+ 253.13355 156.5
[M+Na]+ 275.11549 161.9
[M-H]- 251.11899 163.9
[M+NH4]+ 270.16009 170.5
[M+K]+ 291.08943 162.8
[M+H-H2O]+ 235.12353 148.9
[M+HCOO]- 297.12447 177.0
[M+CH3COO]- 311.14012 167.7
[M+Na-2H]- 273.10094 165.4
[M]+ 252.12572 152.8
[M]- 252.12682 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.