CID 129274

2-hydroxycarbamazepine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O

InChI

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

InChIKey

VPZIYMMSJFWLSP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 10
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]+	253.097146	154.2
[M+Na]+	275.079088	162.3
[M-H]-	251.082594	158.7
[M+NH4]+	270.123693	170.3
[M+K]+	291.053028	162.3
[M+H-H2O]+	235.087130	148.5
[M+HCOO]-	297.088071	173.3
[M+CH3COO]-	311.103721	165.7
[M+Na-2H]-	273.064536	161.1
[M]+	252.08932142	150.7
[M]-	252.09041858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe