CID 214729

3,4-dichloro-n-(2-(1h-tetrazol-5-ylmethoxy)phenyl)benzamide

Structural Information

Molecular Formula

C₁₅H₁₁Cl₂N₅O₂

SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)OCC3=NNN=N3

InChI

InChI=1S/C15H11Cl2N5O2/c16-10-6-5-9(7-11(10)17)15(23)18-12-3-1-2-4-13(12)24-8-14-19-21-22-20-14/h1-7H,8H2,(H,18,23)(H,19,20,21,22)

InChIKey

PPNRTYGAMYVQQZ-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-[2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.029 Da
Monoisotopic Mass: 3.1
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]+	364.036276	176.8
[M+Na]+	386.018218	186.1
[M-H]-	362.021724	179.8
[M+NH4]+	381.062823	185.6
[M+K]+	401.992158	178.6
[M+H-H2O]+	346.026260	165.9
[M+HCOO]-	408.027201	186.6
[M+CH3COO]-	422.042851	185.9
[M+Na-2H]-	384.003666	179.7
[M]+	363.02845142	179.6
[M]-	363.02954858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.