CID 3077227

Carbamic acid, (10,11-dihydro-5-(((2-hydroxyethyl)amino)acetyl)-5h-dibenz(b,f)azepin-3-yl)-, methyl ester, monohydrochloride

Structural Information

Molecular Formula
C20H23N3O4
SMILES
COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNCCO)C=C1
InChI
InChI=1S/C20H23N3O4/c1-27-20(26)22-16-9-8-15-7-6-14-4-2-3-5-17(14)23(18(15)12-16)19(25)13-21-10-11-24/h2-5,8-9,12,21,24H,6-7,10-11,13H2,1H3,(H,22,26)
InChIKey
BHKKGPGBKPVPRC-UHFFFAOYSA-N
Compound name
methyl N-[11-[2-(2-hydroxyethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16885 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 184.9
[M+Na]+ 392.15807 192.7
[M+NH4]+ 387.20267 189.7
[M+K]+ 408.13201 188.6
[M-H]- 368.16157 186.0
[M+Na-2H]- 390.14352 187.6
[M]+ 369.16830 185.9
[M]- 369.16940 185.9
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

No patent data available for this compound.