CID 453261

132686-80-7

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CCO

InChI

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

InChIKey

WMKDCDDFJCFMMJ-UHFFFAOYSA-N

Compound name

11-(2-hydroxyethyl)-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 269.11642 Da
Monoisotopic Mass: 1.3
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	161.2
[M+Na]+	292.105638	170.4
[M-H]-	268.109144	163.2
[M+NH4]+	287.150243	174.8
[M+K]+	308.079578	169.4
[M+H-H2O]+	252.113680	152.7
[M+HCOO]-	314.114621	176.8
[M+CH3COO]-	328.130271	171.8
[M+Na-2H]-	290.091086	167.8
[M]+	269.11587142	159.8
[M]-	269.11696858	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe