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 171.8
[M+Na]+ 333.15734 177.9
[M-H]- 309.16084 178.8
[M+NH4]+ 328.20194 185.8
[M+K]+ 349.13128 180.0
[M+H-H2O]+ 293.16538 164.6
[M+HCOO]- 355.16632 189.7
[M+CH3COO]- 369.18197 214.5
[M+Na-2H]- 331.14279 176.8
[M]+ 310.16757 172.4
[M]- 310.16867 172.4
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.