CID 76892

O,o'-(4,4'-diaminobiphenyl-3,3'-ylene)di(glycollic acid)

Structural Information

Molecular Formula
C16H16N2O6
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCC(=O)O)OCC(=O)O)N
InChI
InChI=1S/C16H16N2O6/c17-11-3-1-9(5-13(11)23-7-15(19)20)10-2-4-12(18)14(6-10)24-8-16(21)22/h1-6H,7-8,17-18H2,(H,19,20)(H,21,22)
InChIKey
UJJIPRCLIYLSHI-UHFFFAOYSA-N
Compound name
2-[2-amino-5-[4-amino-3-(carboxymethoxy)phenyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

332.10083 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.108106 173.6
[M+Na]+ 355.090048 179.4
[M-H]- 331.093554 177.2
[M+NH4]+ 350.134653 184.5
[M+K]+ 371.063988 176.9
[M+H-H2O]+ 315.098090 165.2
[M+HCOO]- 377.099031 194.5
[M+CH3COO]- 391.114681 210.9
[M+Na-2H]- 353.075496 173.4
[M]+ 332.10028142 173.7
[M]- 332.10137858 173.7
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