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 182.1
[M+Na]+ 374.14752 187.5
[M-H]- 350.15102 187.5
[M+NH4]+ 369.19212 194.9
[M+K]+ 390.12146 188.8
[M+H-H2O]+ 334.15556 174.6
[M+HCOO]- 396.15650 202.0
[M+CH3COO]- 410.17215 219.5
[M+Na-2H]- 372.13297 187.3
[M]+ 351.15775 182.1
[M]- 351.15885 182.1
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

patents stripe