CID 58019455

2,2'-diamino-4,4'-stilbenedicarboxylic acid

Structural Information

Molecular Formula
C16H14N2O4
SMILES
C1=CC(=C(C=C1C(=O)O)N)/C=C/C2=C(C=C(C=C2)C(=O)O)N
InChI
InChI=1S/C16H14N2O4/c17-13-7-11(15(19)20)5-3-9(13)1-2-10-4-6-12(16(21)22)8-14(10)18/h1-8H,17-18H2,(H,19,20)(H,21,22)/b2-1+
InChIKey
QEDSDXRFNGAJKN-OWOJBTEDSA-N
Compound name
3-amino-4-[(E)-2-(2-amino-4-carboxyphenyl)ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

298.09537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 169.1
[M+Na]+ 321.08459 179.3
[M+NH4]+ 316.12919 173.9
[M+K]+ 337.05853 175.3
[M-H]- 297.08809 171.2
[M+Na-2H]- 319.07004 173.6
[M]+ 298.09482 170.6
[M]- 298.09592 170.6
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