CID 3008307

2-[4-[(2,3-dioxoindolin-1-yl)methyl]phenyl]benzoic acid

Structural Information

Molecular Formula
C22H15NO4
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)C3=O)C(=O)O
InChI
InChI=1S/C22H15NO4/c24-20-18-7-3-4-8-19(18)23(21(20)25)13-14-9-11-15(12-10-14)16-5-1-2-6-17(16)22(26)27/h1-12H,13H2,(H,26,27)
InChIKey
JSIPIFXWODCPMB-UHFFFAOYSA-N
Compound name
2-[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.1001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10738 183.2
[M+Na]+ 380.08932 191.7
[M-H]- 356.09282 191.9
[M+NH4]+ 375.13392 196.1
[M+K]+ 396.06326 185.6
[M+H-H2O]+ 340.09736 174.1
[M+HCOO]- 402.09830 202.5
[M+CH3COO]- 416.11395 193.8
[M+Na-2H]- 378.07477 183.5
[M]+ 357.09955 183.9
[M]- 357.10065 183.9
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.