CID 2478577

26198-23-2

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₃S

SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2O

InChI

InChI=1S/C10H14N4O3S/c1-3-13(4-2)18(16,17)8-5-6-9-10(7-8)14(15)12-11-9/h5-7,15H,3-4H2,1-2H3

InChIKey

NCQKZZDOZJRYFM-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-hydroxybenzotriazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 270.07867 Da
Monoisotopic Mass: 1.1
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]+	271.08595	158.5
[M+Na]+	293.06789	169.3
[M-H]-	269.07139	160.4
[M+NH4]+	288.11249	174.4
[M+K]+	309.04183	166.4
[M+H-H2O]+	253.07593	151.5
[M+HCOO]-	315.07687	175.2
[M+CH3COO]-	329.09252	196.4
[M+Na-2H]-	291.05334	163.6
[M]+	270.07812	165.3
[M]-	270.07922	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe