CID 3077234

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

381.20523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 190.8
[M+Na]+ 404.19445 199.2
[M+NH4]+ 399.23905 196.2
[M+K]+ 420.16839 193.8
[M-H]- 380.19795 192.8
[M+Na-2H]- 402.17990 193.9
[M]+ 381.20468 192.3
[M]- 381.20578 192.3
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