CID 453267

133626-62-7

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃

SMILES

CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CC(=O)O

InChI

InChI=1S/C15H13N3O3/c1-17-11-6-2-3-7-12(11)18(9-13(19)20)14-10(15(17)21)5-4-8-16-14/h2-8H,9H2,1H3,(H,19,20)

InChIKey

LAUVNIKSFKNPAZ-UHFFFAOYSA-N

Compound name

2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.0957 Da
Monoisotopic Mass: 1.6
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]+	284.102976	162.3
[M+Na]+	306.084918	171.4
[M-H]-	282.088424	164.5
[M+NH4]+	301.129523	175.1
[M+K]+	322.058858	171.1
[M+H-H2O]+	266.092960	154.0
[M+HCOO]-	328.093901	177.4
[M+CH3COO]-	342.109551	172.8
[M+Na-2H]-	304.070366	168.1
[M]+	283.09515142	161.1
[M]-	283.09624858	161.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.