CID 215302

4-methyl-n-(2-(1h-tetrazol-5-ylmethoxy)phenyl)benzamide

Structural Information

Molecular Formula

C₁₆H₁₅N₅O₂

SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OCC3=NNN=N3

InChI

InChI=1S/C16H15N5O2/c1-11-6-8-12(9-7-11)16(22)17-13-4-2-3-5-14(13)23-10-15-18-20-21-19-15/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)

InChIKey

HIUGNOCGNMHVEK-UHFFFAOYSA-N

Compound name

4-methyl-N-[2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.1226 Da
Monoisotopic Mass: 2.2
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]+	310.129876	170.2
[M+Na]+	332.111818	177.4
[M-H]-	308.115324	173.9
[M+NH4]+	327.156423	179.6
[M+K]+	348.085758	171.8
[M+H-H2O]+	292.119860	158.9
[M+HCOO]-	354.120801	189.7
[M+CH3COO]-	368.136451	179.9
[M+Na-2H]-	330.097266	174.7
[M]+	309.12205142	169.8
[M]-	309.12314858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.