CID 3077230

Ethyl (5-((methylamino)acetyl)-5h-dibenz(b,f)azepin-3-yl)carbamate hydrochloride

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCOC(=O)NC1=CC2=C(C=CC3=CC=CC=C3N2C(=O)CNC)C=C1
InChI
InChI=1S/C20H21N3O3/c1-3-26-20(25)22-16-11-10-15-9-8-14-6-4-5-7-17(14)23(18(15)12-16)19(24)13-21-2/h4-12,21H,3,13H2,1-2H3,(H,22,25)
InChIKey
DTOLRINNIWHMEZ-UHFFFAOYSA-N
Compound name
ethyl N-[11-[2-(methylamino)acetyl]benzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 181.5
[M+Na]+ 374.14752 191.1
[M+NH4]+ 369.19212 187.2
[M+K]+ 390.12146 186.0
[M-H]- 350.15102 183.7
[M+Na-2H]- 372.13297 185.9
[M]+ 351.15775 183.3
[M]- 351.15885 183.3
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

patents stripe