CID 453249

6-(2-hydroxyethyl)-11h-pyrido[3,2-c][1,5]benzodiazepin-5-one

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C1=CC=C2C(=C1)NC3=C(C=CC=N3)C(=O)N2CCO

InChI

InChI=1S/C14H13N3O2/c18-9-8-17-12-6-2-1-5-11(12)16-13-10(14(17)19)4-3-7-15-13/h1-7,18H,8-9H2,(H,15,16)

InChIKey

ZVSYBTYRGCJKDB-UHFFFAOYSA-N

Compound name

6-(2-hydroxyethyl)-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 1.1
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]+	256.108046	156.9
[M+Na]+	278.089988	165.3
[M-H]-	254.093494	157.4
[M+NH4]+	273.134593	170.1
[M+K]+	294.063928	163.6
[M+H-H2O]+	238.098030	148.7
[M+HCOO]-	300.098971	171.5
[M+CH3COO]-	314.114621	167.0
[M+Na-2H]-	276.075436	164.3
[M]+	255.10022142	153.1
[M]-	255.10131858	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.