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 186.5
[M+Na]+ 388.16317 191.5
[M-H]- 364.16667 191.7
[M+NH4]+ 383.20777 198.7
[M+K]+ 404.13711 192.6
[M+H-H2O]+ 348.17121 178.8
[M+HCOO]- 410.17215 206.0
[M+CH3COO]- 424.18780 222.3
[M+Na-2H]- 386.14862 191.2
[M]+ 365.17340 186.8
[M]- 365.17450 186.8
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