CID 2440022

554425-48-8

Structural Information

Molecular Formula

C₈H₁₀N₄O₃S

SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2O

InChI

InChI=1S/C8H10N4O3S/c1-11(2)16(14,15)6-3-4-7-8(5-6)12(13)10-9-7/h3-5,13H,1-2H3

InChIKey

MMTNAHRIPAKUCD-UHFFFAOYSA-N

Compound name

3-hydroxy-N,N-dimethylbenzotriazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 242.04736 Da
Monoisotopic Mass: 0.3
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]+	243.05464	149.6
[M+Na]+	265.03658	161.4
[M-H]-	241.04008	152.0
[M+NH4]+	260.08118	166.7
[M+K]+	281.01052	159.0
[M+H-H2O]+	225.04462	143.1
[M+HCOO]-	287.04556	167.0
[M+CH3COO]-	301.06121	190.5
[M+Na-2H]-	263.02203	155.7
[M]+	242.04681	155.8
[M]-	242.04791	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.