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]+ 311.175396 171.8
[M+Na]+ 333.157338 177.9
[M-H]- 309.160844 178.8
[M+NH4]+ 328.201943 185.8
[M+K]+ 349.131278 180.0
[M+H-H2O]+ 293.165380 164.6
[M+HCOO]- 355.166321 189.7
[M+CH3COO]- 369.181971 214.5
[M+Na-2H]- 331.142786 176.8
[M]+ 310.16757142 172.4
[M]- 310.16866858 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.