CID 3061781

Brn 5649145

Structural Information

Molecular Formula
C23H16ClN3O3
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C23H16ClN3O3/c24-15-10-11-19-20(14-15)27(16-6-2-1-3-7-16)23(30)25(19)12-13-26-21(28)17-8-4-5-9-18(17)22(26)29/h1-11,14H,12-13H2
InChIKey
SAGMAVMKYHAMQL-UHFFFAOYSA-N
Compound name
2-[2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.088 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.09528 197.6
[M+Na]+ 440.07722 215.8
[M+NH4]+ 435.12182 205.1
[M+K]+ 456.05116 209.8
[M-H]- 416.08072 202.8
[M+Na-2H]- 438.06267 205.1
[M]+ 417.08745 202.1
[M]- 417.08855 202.1
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.