CID 224976

75199-02-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₄S

SMILES

CCOC1=CC=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-2-20-13-6-4-3-5-11(13)16-12-8-7-10(15)9-14(12)21(17,18)19/h3-9,16H,2,15H2,1H3,(H,17,18,19)

InChIKey

YRLCWCSMBOVTJM-UHFFFAOYSA-N

Compound name

5-amino-2-(2-ethoxyanilino)benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.08307 Da
Monoisotopic Mass: 2.4
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]+	309.090346	167.2
[M+Na]+	331.072288	174.6
[M-H]-	307.075794	172.4
[M+NH4]+	326.116893	180.8
[M+K]+	347.046228	169.8
[M+H-H2O]+	291.080330	159.5
[M+HCOO]-	353.081271	185.6
[M+CH3COO]-	367.096921	203.7
[M+Na-2H]-	329.057736	171.0
[M]+	308.08252142	168.9
[M]-	308.08361858	168.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.