CID 5380

Tazanolast

Structural Information

Molecular Formula

C₁₃H₁₅N₅O₃

SMILES

CCCCOC(=O)C(=O)NC1=CC=CC(=C1)C2=NNN=N2

InChI

InChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18)

InChIKey

XQTARQNQIVVBRX-UHFFFAOYSA-N

Compound name

butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1544
Patents: 289.1175 Da
Monoisotopic Mass: 1.8
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]+	290.12478	165.6
[M+Na]+	312.10672	175.2
[M+NH4]+	307.15132	169.2
[M+K]+	328.08066	173.3
[M-H]-	288.11022	164.7
[M+Na-2H]-	310.09217	170.5
[M]+	289.11695	166.1
[M]-	289.11805	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe