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 189.3
[M+Na]+ 406.17372 192.6
[M-H]- 382.17722 192.7
[M+NH4]+ 401.21832 199.9
[M+K]+ 422.14766 194.0
[M+H-H2O]+ 366.18176 181.5
[M+HCOO]- 428.18270 206.1
[M+CH3COO]- 442.19835 222.7
[M+Na-2H]- 404.15917 192.9
[M]+ 383.18395 187.9
[M]- 383.18505 187.9
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

patents stripe