CID 3068666

1,4-benzoxazepine-3-methanamine, 2,3-dihydro-n,n-dimethyl-5-(2-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H19FN2O
SMILES
CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C18H19FN2O/c1-21(2)11-13-12-22-17-10-6-4-8-15(17)18(20-13)14-7-3-5-9-16(14)19/h3-10,13H,11-12H2,1-2H3
InChIKey
BFJUIXGDGMDUSU-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15541 167.1
[M+Na]+ 321.13735 173.6
[M-H]- 297.14085 175.0
[M+NH4]+ 316.18195 180.4
[M+K]+ 337.11129 175.2
[M+H-H2O]+ 281.14539 158.3
[M+HCOO]- 343.14633 186.5
[M+CH3COO]- 357.16198 178.2
[M+Na-2H]- 319.12280 172.4
[M]+ 298.14758 165.1
[M]- 298.14868 165.1
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.