CID 1067769

2,5-bis[(2-phenylacetyl)amino]terephthalic acid

Structural Information

Molecular Formula
C24H20N2O6
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2C(=O)O)NC(=O)CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C24H20N2O6/c27-21(11-15-7-3-1-4-8-15)25-19-13-18(24(31)32)20(14-17(19)23(29)30)26-22(28)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
InChIKey
OJVKDQBWFVOYFA-UHFFFAOYSA-N
Compound name
2,5-bis[(2-phenylacetyl)amino]terephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

432.13214 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13942 200.4
[M+Na]+ 455.12136 202.7
[M-H]- 431.12486 206.9
[M+NH4]+ 450.16596 206.4
[M+K]+ 471.09530 199.3
[M+H-H2O]+ 415.12940 190.1
[M+HCOO]- 477.13034 219.3
[M+CH3COO]- 491.14599 229.6
[M+Na-2H]- 453.10681 199.4
[M]+ 432.13159 199.3
[M]- 432.13269 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe