CID 453350

24000-48-4

Structural Information

Molecular Formula

C₁₄H₁₃N₃O

SMILES

CN1C2=C(N=CC=C2)N(C3=CC=CC=C3C1=O)C

InChI

InChI=1S/C14H13N3O/c1-16-11-7-4-3-6-10(11)14(18)17(2)12-8-5-9-15-13(12)16/h3-9H,1-2H3

InChIKey

MLWIUGGSNLPGMK-UHFFFAOYSA-N

Compound name

5,11-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 239.10587 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]+	240.11315	152.9
[M+Na]+	262.09509	163.2
[M-H]-	238.09859	156.3
[M+NH4]+	257.13969	168.4
[M+K]+	278.06903	162.2
[M+H-H2O]+	222.10313	144.6
[M+HCOO]-	284.10407	170.1
[M+CH3COO]-	298.11972	164.7
[M+Na-2H]-	260.08054	160.4
[M]+	239.10532	151.5
[M]-	239.10642	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe