CID 211254

Brn 2991941

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
COC1=C(C=C(C=C1)C(=NCCS(=O)(=O)O)N)OC
InChI
InChI=1S/C11H16N2O5S/c1-17-9-4-3-8(7-10(9)18-2)11(12)13-5-6-19(14,15)16/h3-4,7H,5-6H2,1-2H3,(H2,12,13)(H,14,15,16)
InChIKey
XRWZOJWDPAFWAV-UHFFFAOYSA-N
Compound name
2-[[amino-(3,4-dimethoxyphenyl)methylidene]amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.078 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 161.5
[M+Na]+ 311.06722 168.1
[M-H]- 287.07072 164.7
[M+NH4]+ 306.11182 176.6
[M+K]+ 327.04116 165.9
[M+H-H2O]+ 271.07526 154.5
[M+HCOO]- 333.07620 180.3
[M+CH3COO]- 347.09185 201.5
[M+Na-2H]- 309.05267 164.2
[M]+ 288.07745 166.1
[M]- 288.07855 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.