CID 546975

Carbamic acid, (5-((ethylamino)acetyl)-10,11-dihydro-5h-dibenz(b,f)azepin-3-yl)-, 1-methylethyl ester, monohydrochloride

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CCNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OC(C)C
InChI
InChI=1S/C22H27N3O3/c1-4-23-14-21(26)25-19-8-6-5-7-16(19)9-10-17-11-12-18(13-20(17)25)24-22(27)28-15(2)3/h5-8,11-13,15,23H,4,9-10,14H2,1-3H3,(H,24,27)
InChIKey
KMOPIRNEXBHZCE-UHFFFAOYSA-N
Compound name
propan-2-yl N-[11-[2-(ethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

381.20523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 190.0
[M+Na]+ 404.19445 198.1
[M+NH4]+ 399.23905 195.3
[M+K]+ 420.16839 193.5
[M-H]- 380.19795 191.8
[M+Na-2H]- 402.17990 192.9
[M]+ 381.20468 191.4
[M]- 381.20578 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe