CID 3070580

Dl-11-(2-n-dimethylaminoethyl)-5-acetyl-dibenzo(b,e)(1,4)oxazepine hydrochloride

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC(=O)N1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H22N2O2/c1-14(22)21-16-9-5-4-8-15(16)18(12-13-20(2)3)23-19-11-7-6-10-17(19)21/h4-11,18H,12-13H2,1-3H3
InChIKey
XNIFYOLOMDGQHQ-UHFFFAOYSA-N
Compound name
1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.2
[M+Na]+ 333.15734 185.7
[M+NH4]+ 328.20194 181.5
[M+K]+ 349.13128 180.0
[M-H]- 309.16084 178.5
[M+Na-2H]- 331.14279 178.8
[M]+ 310.16757 177.1
[M]- 310.16867 177.1
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.