CID 182017

4-hydroxyalprazolam

Structural Information

Molecular Formula

C₁₇H₁₃ClN₄O

SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4

InChI

InChI=1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3

InChIKey

CEYGCFLPQFNPST-UHFFFAOYSA-N

Compound name

8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 36
Patents: 324.0778 Da
Monoisotopic Mass: 1.6
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]+	325.085076	175.3
[M+Na]+	347.067018	188.2
[M-H]-	323.070524	179.7
[M+NH4]+	342.111623	188.2
[M+K]+	363.040958	184.1
[M+H-H2O]+	307.075060	164.8
[M+HCOO]-	369.076001	187.7
[M+CH3COO]-	383.091651	186.0
[M+Na-2H]-	345.052466	179.6
[M]+	324.07725142	176.3
[M]-	324.07834858	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe