CID 68901

Eflumast

Structural Information

Molecular Formula

C₁₀H₈FN₅O₃

SMILES

CC(=O)C1=C(C(=CC(=C1)F)NC(=O)C2=NNN=N2)O

InChI

InChI=1S/C10H8FN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)12-10(19)9-13-15-16-14-9/h2-3,18H,1H3,(H,12,19)(H,13,14,15,16)

InChIKey

BKAPZKSRERAYQD-UHFFFAOYSA-N

Compound name

N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-2H-tetrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 83
Patents: 265.06113 Da
Monoisotopic Mass: 0.6
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]+	266.068406	155.3
[M+Na]+	288.050348	164.4
[M-H]-	264.053854	154.3
[M+NH4]+	283.094953	166.5
[M+K]+	304.024288	160.2
[M+H-H2O]+	248.058390	145.5
[M+HCOO]-	310.059331	172.5
[M+CH3COO]-	324.074981	193.3
[M+Na-2H]-	286.035796	157.6
[M]+	265.06058142	153.1
[M]-	265.06167858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe