CID 453245

16287-28-8

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C13H11N3O/c1-16-11-7-3-2-6-10(11)15-12-9(13(16)17)5-4-8-14-12/h2-8H,1H3,(H,14,15)

InChIKey

ONUDKSCEPDVUPP-UHFFFAOYSA-N

Compound name

6-methyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 225.09021 Da
Monoisotopic Mass: 1.8
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]+	226.09749	148.9
[M+Na]+	248.07943	158.3
[M-H]-	224.08293	150.9
[M+NH4]+	243.12403	164.0
[M+K]+	264.05337	156.8
[M+H-H2O]+	208.08747	140.8
[M+HCOO]-	270.08841	165.1
[M+CH3COO]-	284.10406	160.2
[M+Na-2H]-	246.06488	157.2
[M]+	225.08966	145.1
[M]-	225.09076	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe