CID 9881504

Eslicarbazepine

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1[C@@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
InChI
InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1
InChIKey
BMPDWHIDQYTSHX-AWEZNQCLSA-N
Compound name
(5S)-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

79
References

1897
Patents

254.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.112806 154.8
[M+Na]+ 277.094748 161.9
[M-H]- 253.098254 158.9
[M+NH4]+ 272.139353 170.8
[M+K]+ 293.068688 162.0
[M+H-H2O]+ 237.102790 149.0
[M+HCOO]- 299.103731 172.6
[M+CH3COO]- 313.119381 165.9
[M+Na-2H]- 275.080196 160.8
[M]+ 254.10498142 150.0
[M]- 254.10607858 150.0
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