CID 71316959

N-formyl oxcarbazepine

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)NC=O
InChI
InChI=1S/C16H12N2O3/c19-10-17-16(21)18-13-7-3-1-5-11(13)9-15(20)12-6-2-4-8-14(12)18/h1-8,10H,9H2,(H,17,19,21)
InChIKey
FOEYBWXNDHBTBV-UHFFFAOYSA-N
Compound name
N-formyl-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.08478 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 159.9
[M+Na]+ 303.07400 167.4
[M-H]- 279.07750 165.6
[M+NH4]+ 298.11860 175.6
[M+K]+ 319.04794 167.8
[M+H-H2O]+ 263.08204 153.5
[M+HCOO]- 325.08298 179.8
[M+CH3COO]- 339.09863 171.3
[M+Na-2H]- 301.05945 166.8
[M]+ 280.08423 157.9
[M]- 280.08533 157.9
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