CID 3865341

88508-44-5

Structural Information

Molecular Formula

C₇H₁₀N₂O₃S

SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)N

InChI

InChI=1S/C7H10N2O3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)

InChIKey

VYYZMIPOAWOHAI-UHFFFAOYSA-N

Compound name

5-amino-2-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 321
Patents: 202.04121 Da
Monoisotopic Mass: -0.6
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]+	203.048486	139.1
[M+Na]+	225.030428	148.0
[M-H]-	201.033934	142.5
[M+NH4]+	220.075033	157.8
[M+K]+	241.004368	145.1
[M+H-H2O]+	185.038470	133.2
[M+HCOO]-	247.039411	158.9
[M+CH3COO]-	261.055061	185.0
[M+Na-2H]-	223.015876	143.1
[M]+	202.04066142	139.8
[M]-	202.04175858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe