CID 453250

16287-50-6

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

COCCN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C15H15N3O2/c1-20-10-9-18-13-7-3-2-6-12(13)17-14-11(15(18)19)5-4-8-16-14/h2-8H,9-10H2,1H3,(H,16,17)

InChIKey

PHPMRMWXFMBHBP-UHFFFAOYSA-N

Compound name

6-(2-methoxyethyl)-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 269.11642 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]+	270.123696	160.6
[M+Na]+	292.105638	169.0
[M-H]-	268.109144	162.2
[M+NH4]+	287.150243	173.9
[M+K]+	308.079578	167.8
[M+H-H2O]+	252.113680	151.9
[M+HCOO]-	314.114621	176.3
[M+CH3COO]-	328.130271	170.9
[M+Na-2H]-	290.091086	168.0
[M]+	269.11587142	158.8
[M]-	269.11696858	158.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.