CID 3081363

Fentrazamide

Structural Information

Molecular Formula

C₁₆H₂₀ClN₅O₂

SMILES

CCN(C1CCCCC1)C(=O)N2C(=O)N(N=N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3

InChIKey

LLQPHQFNMLZJMP-UHFFFAOYSA-N

Compound name

4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 31560
Patents: 349.13055 Da
Monoisotopic Mass: 4.4
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]+	350.13783	180.6
[M+Na]+	372.11977	187.2
[M-H]-	348.12327	186.0
[M+NH4]+	367.16437	190.6
[M+K]+	388.09371	182.5
[M+H-H2O]+	332.12781	168.9
[M+HCOO]-	394.12875	193.2
[M+CH3COO]-	408.14440	213.2
[M+Na-2H]-	370.10522	180.3
[M]+	349.13000	180.7
[M]-	349.13110	180.7

Literature stripe

literature stripe

Patent stripe

patents stripe