CID 6433500

Flavonic acid disodium salt

Structural Information

Molecular Formula
C14H14N2O6S2
SMILES
C1=CC(=C(C=C1/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C14H14N2O6S2/c15-11-5-4-10(13(8-11)23(17,18)19)3-1-9-2-6-12(16)14(7-9)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b3-1+
InChIKey
GCLQWMIRLMWPHD-HNQUOIGGSA-N
Compound name
2-amino-5-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

370.02933 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03661 180.6
[M+Na]+ 393.01855 187.7
[M-H]- 369.02205 183.1
[M+NH4]+ 388.06315 190.3
[M+K]+ 408.99249 180.3
[M+H-H2O]+ 353.02659 173.4
[M+HCOO]- 415.02753 190.3
[M+CH3COO]- 429.04318 209.3
[M+Na-2H]- 391.00400 183.2
[M]+ 370.02878 180.4
[M]- 370.02988 180.4
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

patents stripe