CID 3053726

5h-dibenz(b,e)azepine, 6,11-dihydro-5-((diethylamino)acetyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H24N2O
SMILES
CCN(CC)CC(=O)N1CC2=CC=CC=C2CC3=CC=CC=C31
InChI
InChI=1S/C20H24N2O/c1-3-21(4-2)15-20(23)22-14-18-11-6-5-9-16(18)13-17-10-7-8-12-19(17)22/h5-12H,3-4,13-15H2,1-2H3
InChIKey
MEFSPFLPSQGTGR-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 172.5
[M+Na]+ 331.17809 177.3
[M-H]- 307.18159 178.3
[M+NH4]+ 326.22269 187.6
[M+K]+ 347.15203 177.5
[M+H-H2O]+ 291.18613 165.3
[M+HCOO]- 353.18707 190.9
[M+CH3COO]- 367.20272 214.1
[M+Na-2H]- 329.16354 177.1
[M]+ 308.18832 171.2
[M]- 308.18942 171.2
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.