CID 3077232

Carbamic acid, (5-((ethylamino)acetyl)-5h-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCNCC(=O)N1C2=CC=CC=C2C=CC3=C1C=C(C=C3)NC(=O)OCC
InChI
InChI=1S/C21H23N3O3/c1-3-22-14-20(25)24-18-8-6-5-7-15(18)9-10-16-11-12-17(13-19(16)24)23-21(26)27-4-2/h5-13,22H,3-4,14H2,1-2H3,(H,23,26)
InChIKey
WORZJDCFVXQUGR-UHFFFAOYSA-N
Compound name
ethyl N-[11-[2-(ethylamino)acetyl]benzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.17395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 185.8
[M+Na]+ 388.16317 195.3
[M+NH4]+ 383.20777 191.3
[M+K]+ 404.13711 189.9
[M-H]- 364.16667 188.0
[M+Na-2H]- 386.14862 189.9
[M]+ 365.17340 187.5
[M]- 365.17450 187.5
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