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

81
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 168.3
[M+Na]+ 321.08459 174.9
[M-H]- 297.08809 172.0
[M+NH4]+ 316.12919 180.8
[M+K]+ 337.05853 170.3
[M+H-H2O]+ 281.09263 160.7
[M+HCOO]- 343.09357 189.0
[M+CH3COO]- 357.10922 204.8
[M+Na-2H]- 319.07004 167.7
[M]+ 298.09482 164.8
[M]- 298.09592 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