CID 453262

132686-91-0

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₂

SMILES

CC(=O)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C

InChI

InChI=1S/C15H13N3O2/c1-10(19)18-13-8-4-3-7-12(13)17(2)15(20)11-6-5-9-16-14(11)18/h3-9H,1-2H3

InChIKey

UHNISJATCMSSOQ-UHFFFAOYSA-N

Compound name

11-acetyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 267.10077 Da
Monoisotopic Mass: 1.2
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]+	268.10805	158.8
[M+Na]+	290.08999	168.6
[M-H]-	266.09349	162.3
[M+NH4]+	285.13459	173.1
[M+K]+	306.06393	168.2
[M+H-H2O]+	250.09803	150.4
[M+HCOO]-	312.09897	175.1
[M+CH3COO]-	326.11462	170.1
[M+Na-2H]-	288.07544	164.9
[M]+	267.10022	157.8
[M]-	267.10132	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe