CID 453246

16287-29-9

Structural Information

Molecular Formula

C₁₄H₁₃N₃O

SMILES

CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C14H13N3O/c1-2-17-12-8-4-3-7-11(12)16-13-10(14(17)18)6-5-9-15-13/h3-9H,2H2,1H3,(H,15,16)

InChIKey

NJFAYUFRHYLWIF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 239.10587 Da
Monoisotopic Mass: 2.2
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	153.3
[M+Na]+	262.09509	162.3
[M-H]-	238.09859	155.1
[M+NH4]+	257.13969	167.8
[M+K]+	278.06903	160.5
[M+H-H2O]+	222.10313	145.0
[M+HCOO]-	284.10407	169.1
[M+CH3COO]-	298.11972	164.1
[M+Na-2H]-	260.08054	161.1
[M]+	239.10532	149.8
[M]-	239.10642	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe