CID 142641556

4'-chloro deschloroalprazolam

Structural Information

Molecular Formula

C₁₇H₁₃ClN₄

SMILES

CC1=NN=C2N1C3=CC=CC=C3C(=NC2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-6-8-13(18)9-7-12)14-4-2-3-5-15(14)22(11)16/h2-9H,10H2,1H3

InChIKey

QZQFCOLCRXZSIK-UHFFFAOYSA-N

Compound name

6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 308.0829 Da
Monoisotopic Mass: 2.1
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]+	309.090176	171.5
[M+Na]+	331.072118	184.2
[M-H]-	307.075624	176.5
[M+NH4]+	326.116723	185.3
[M+K]+	347.046058	179.7
[M+H-H2O]+	291.080160	160.3
[M+HCOO]-	353.081101	185.0
[M+CH3COO]-	367.096751	182.5
[M+Na-2H]-	329.057566	176.7
[M]+	308.08235142	172.3
[M]-	308.08344858	172.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.