CID 1381910

2-[[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]amino]benzoic acid

Structural Information

Molecular Formula
C28H18N2O5
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=CC=C5C(=O)O
InChI
InChI=1S/C28H18N2O5/c31-25(29-23-12-6-4-11-21(23)28(34)35)18-14-15-20-22(16-18)27(33)30(26(20)32)24-13-7-5-10-19(24)17-8-2-1-3-9-17/h1-16H,(H,29,31)(H,34,35)
InChIKey
SQKLRNLUIFMZJC-UHFFFAOYSA-N
Compound name
2-[[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.12158 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12886 209.2
[M+Na]+ 485.11080 215.4
[M-H]- 461.11430 220.8
[M+NH4]+ 480.15540 216.5
[M+K]+ 501.08474 209.3
[M+H-H2O]+ 445.11884 198.1
[M+HCOO]- 507.11978 227.6
[M+CH3COO]- 521.13543 217.3
[M+Na-2H]- 483.09625 207.9
[M]+ 462.12103 208.9
[M]- 462.12213 208.9
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

No patent data available for this compound.