CID 453270

132687-03-7

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

CC1=C2C(=CC=C1)NC3=C(C=CC=N3)C(=O)N2

InChI

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

InChIKey

GXHCCZBZTJWGDT-UHFFFAOYSA-N

Compound name

7-methyl-6,11-dihydropyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 225.09021 Da
Monoisotopic Mass: 2.0
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	149.6
[M+Na]+	248.07943	158.7
[M-H]-	224.08293	150.4
[M+NH4]+	243.12403	164.1
[M+K]+	264.05337	156.5
[M+H-H2O]+	208.08747	141.9
[M+HCOO]-	270.08841	164.4
[M+CH3COO]-	284.10406	160.3
[M+Na-2H]-	246.06488	157.6
[M]+	225.08966	144.2
[M]-	225.09076	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe