CID 120031

10-methoxycarbamazepine

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

COC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N

InChI

InChI=1S/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19)

InChIKey

PIZOFBKQWNPKDK-UHFFFAOYSA-N

Compound name

5-methoxybenzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 77
Patents: 266.10553 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.11281	158.3
[M+Na]+	289.09475	166.4
[M-H]-	265.09825	163.9
[M+NH4]+	284.13935	174.6
[M+K]+	305.06869	166.8
[M+H-H2O]+	249.10279	152.1
[M+HCOO]-	311.10373	178.5
[M+CH3COO]-	325.11938	170.1
[M+Na-2H]-	287.08020	165.0
[M]+	266.10498	156.8
[M]-	266.10608	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe