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 200.7
[M+Na]+ 440.07722 213.9
[M-H]- 416.08072 210.0
[M+NH4]+ 435.12182 213.4
[M+K]+ 456.05116 205.2
[M+H-H2O]+ 400.08526 190.5
[M+HCOO]- 462.08620 216.1
[M+CH3COO]- 476.10185 211.3
[M+Na-2H]- 438.06267 199.7
[M]+ 417.08745 207.6
[M]- 417.08855 207.6
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.