CID 3053090

69518-37-2

Structural Information

Molecular Formula

C₁₂H₁₇N₅O₂S

SMILES

CCN(CCC1=NNN=N1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C12H17N5O2S/c1-3-17(9-8-12-13-15-16-14-12)20(18,19)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14,15,16)

InChIKey

OAHJKFWHVWPPMU-UHFFFAOYSA-N

Compound name

N-ethyl-4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.1103 Da
Monoisotopic Mass: 1.3
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]+	296.117576	167.0
[M+Na]+	318.099518	175.5
[M-H]-	294.103024	169.2
[M+NH4]+	313.144123	179.0
[M+K]+	334.073458	171.4
[M+H-H2O]+	278.107560	158.0
[M+HCOO]-	340.108501	181.8
[M+CH3COO]-	354.124151	200.4
[M+Na-2H]-	316.084966	170.0
[M]+	295.10975142	170.3
[M]-	295.11084858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.