CID 44196

62903-65-5

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCOC1=NCC(=O)N(C2=C1C=C(C=C2)C)C

InChI

InChI=1S/C13H16N2O2/c1-4-17-13-10-7-9(2)5-6-11(10)15(3)12(16)8-14-13/h5-7H,4,8H2,1-3H3

InChIKey

APXRBRJVJGKTSC-UHFFFAOYSA-N

Compound name

5-ethoxy-1,7-dimethyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 1.7
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]+	233.12847	149.9
[M+Na]+	255.11041	161.9
[M+NH4]+	250.15501	156.8
[M+K]+	271.08435	156.9
[M-H]-	231.11391	151.0
[M+Na-2H]-	253.09586	155.2
[M]+	232.12064	151.9
[M]-	232.12174	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.