CID 24833768

O-anis-p-anisidide, alpha-1h-tetrazol-5-yl-

Structural Information

Molecular Formula

C₁₆H₁₅N₅O₃

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=NNN=N3

InChI

InChI=1S/C16H15N5O3/c1-23-12-8-6-11(7-9-12)17-16(22)13-4-2-3-5-14(13)24-10-15-18-20-21-19-15/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)

InChIKey

XHUJRBWUGIUCIF-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-2-(2H-tetrazol-5-ylmethoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1175 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]+	326.124776	172.4
[M+Na]+	348.106718	179.3
[M-H]-	324.110224	176.1
[M+NH4]+	343.151323	181.0
[M+K]+	364.080658	174.4
[M+H-H2O]+	308.114760	160.9
[M+HCOO]-	370.115701	192.1
[M+CH3COO]-	384.131351	181.9
[M+Na-2H]-	346.092166	177.0
[M]+	325.11695142	173.3
[M]-	325.11804858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.