CID 2554

Carbamazepine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N

InChI

InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

InChIKey

FFGPTBGBLSHEPO-UHFFFAOYSA-N

Compound name

benzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 15789
References: 82602
Patents: 236.09496 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]+	237.102236	150.4
[M+Na]+	259.084178	158.2
[M-H]-	235.087684	155.8
[M+NH4]+	254.128783	167.6
[M+K]+	275.058118	157.9
[M+H-H2O]+	219.092220	144.5
[M+HCOO]-	281.093161	170.8
[M+CH3COO]-	295.108811	162.4
[M+Na-2H]-	257.069626	158.3
[M]+	236.09441142	146.9
[M]-	236.09550858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe