CID 9499905

339110-08-6

Structural Information

Molecular Formula
C26H22N4O8
SMILES
CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)NC(=O)C)C(=O)O
InChI
InChI=1S/C26H22N4O8/c1-13(31)27-21-11-17(6-8-19(21)25(35)36)29-23(33)15-4-3-5-16(10-15)24(34)30-18-7-9-20(26(37)38)22(12-18)28-14(2)32/h3-12H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)(H,35,36)(H,37,38)
InChIKey
LGWPPGIVWYQTKA-UHFFFAOYSA-N
Compound name
2-acetamido-4-[[3-[(3-acetamido-4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.14374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.15102 218.0
[M+Na]+ 541.13296 223.9
[M+NH4]+ 536.17756 217.8
[M+K]+ 557.10690 223.3
[M-H]- 517.13646 220.0
[M+Na-2H]- 539.11841 221.1
[M]+ 518.14319 218.4
[M]- 518.14429 218.4
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

No patent data available for this compound.