CID 179344

Eslicarbazepine acetate

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
InChI
InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1
InChIKey
QIALRBLEEWJACW-INIZCTEOSA-N
Compound name
[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

242
References

2362
Patents

296.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 165.1
[M+Na]+ 319.10532 171.6
[M-H]- 295.10882 170.2
[M+NH4]+ 314.14992 179.9
[M+K]+ 335.07926 172.8
[M+H-H2O]+ 279.11336 158.7
[M+HCOO]- 341.11430 183.0
[M+CH3COO]- 355.12995 206.7
[M+Na-2H]- 317.09077 169.5
[M]+ 296.11555 162.6
[M]- 296.11665 162.6
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