CID 3741669

61487-06-7

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3O

InChI

InChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19)

InChIKey

HUFCCRRBLQYUTK-UHFFFAOYSA-N

Compound name

4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
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	156.7
[M+Na]+	275.07909	169.7
[M+NH4]+	270.12369	163.7
[M+K]+	291.05303	164.0
[M-H]-	251.08259	159.5
[M+Na-2H]-	273.06454	164.3
[M]+	252.08932	159.4
[M]-	252.09042	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe