CID 141058406

1-hydroxycarbamazepine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC=C3O

InChI

InChI=1S/C15H12N2O2/c16-15(19)17-12-5-2-1-4-10(12)8-9-11-13(17)6-3-7-14(11)18/h1-9,18H,(H2,16,19)

InChIKey

YKHJWQHRLUVWBR-UHFFFAOYSA-N

Compound name

4-hydroxybenzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.08987 Da
Monoisotopic Mass: 2.1
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]+	253.09715	153.5
[M+Na]+	275.07909	165.4
[M+NH4]+	270.12369	161.1
[M+K]+	291.05303	160.4
[M-H]-	251.08259	156.1
[M+Na-2H]-	273.06454	159.5
[M]+	252.08932	155.9
[M]-	252.09042	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe