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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09035 167.2
[M+Na]+ 331.07229 174.6
[M-H]- 307.07579 172.4
[M+NH4]+ 326.11689 180.8
[M+K]+ 347.04623 169.8
[M+H-H2O]+ 291.08033 159.5
[M+HCOO]- 353.08127 185.6
[M+CH3COO]- 367.09692 203.7
[M+Na-2H]- 329.05774 171.0
[M]+ 308.08252 168.9
[M]- 308.08362 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.