CID 2834072

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

Structural Information

Molecular Formula
C21H25N3O4
SMILES
CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNCCO)C=C1
InChI
InChI=1S/C21H25N3O4/c1-2-28-21(27)23-17-10-9-16-8-7-15-5-3-4-6-18(15)24(19(16)13-17)20(26)14-22-11-12-25/h3-6,9-10,13,22,25H,2,7-8,11-12,14H2,1H3,(H,23,27)
InChIKey
CHOJXACXECKJKG-UHFFFAOYSA-N
Compound name
ethyl 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

1
Patents

383.1845 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19178 189.1
[M+Na]+ 406.17372 196.8
[M+NH4]+ 401.21832 193.8
[M+K]+ 422.14766 192.5
[M-H]- 382.17722 190.2
[M+Na-2H]- 404.15917 191.6
[M]+ 383.18395 190.1
[M]- 383.18505 190.1
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