CID 16227903

929973-72-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)N

InChI

InChI=1S/C10H14N2O3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3,11H2,1H3

InChIKey

DQJXGGZGZBZOPO-UHFFFAOYSA-N

Compound name

3-amino-N-cyclopropyl-4-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.07251 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]+	243.079786	145.3
[M+Na]+	265.061728	154.5
[M-H]-	241.065234	152.6
[M+NH4]+	260.106333	157.9
[M+K]+	281.035668	150.1
[M+H-H2O]+	225.069770	138.8
[M+HCOO]-	287.070711	165.5
[M+CH3COO]-	301.086361	195.9
[M+Na-2H]-	263.047176	150.1
[M]+	242.07196142	149.5
[M]-	242.07305858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe