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

55
Patents

298.09537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 168.3
[M+Na]+ 321.084588 174.9
[M-H]- 297.088094 172.0
[M+NH4]+ 316.129193 180.8
[M+K]+ 337.058528 170.3
[M+H-H2O]+ 281.092630 160.7
[M+HCOO]- 343.093571 189.0
[M+CH3COO]- 357.109221 204.8
[M+Na-2H]- 319.070036 167.7
[M]+ 298.09482142 164.8
[M]- 298.09591858 164.8
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