CID 3068672

2,3-dihydro-5-(4-chlorophenyl)-n,n-dimethyl-1,4-benzoxazepine-3-methanamine hydrochloride

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2O/c1-21(2)11-15-12-22-17-6-4-3-5-16(17)18(20-15)13-7-9-14(19)10-8-13/h3-10,15H,11-12H2,1-2H3
InChIKey
JENMFGZCRYXAHV-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)-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

314.1186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 172.4
[M+Na]+ 337.10782 180.2
[M-H]- 313.11132 181.1
[M+NH4]+ 332.15242 186.1
[M+K]+ 353.08176 180.8
[M+H-H2O]+ 297.11586 164.3
[M+HCOO]- 359.11680 188.5
[M+CH3COO]- 373.13245 183.6
[M+Na-2H]- 335.09327 177.7
[M]+ 314.11805 173.4
[M]- 314.11915 173.4
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.