CID 493154

Chembl177947

Structural Information

Molecular Formula
C21H16N2O2
SMILES
C1=CC=C(C=C1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)C=CC3=O
InChI
InChI=1S/C21H16N2O2/c24-17-11-12-18(25)21-20(17)22-19(13-15-7-3-1-4-8-15)23(21)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKey
WSHOXYZKAZDLDJ-UHFFFAOYSA-N
Compound name
1,2-dibenzylbenzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 178.5
[M+Na]+ 351.11042 187.5
[M-H]- 327.11392 186.7
[M+NH4]+ 346.15502 192.0
[M+K]+ 367.08436 180.6
[M+H-H2O]+ 311.11846 168.0
[M+HCOO]- 373.11940 198.8
[M+CH3COO]- 387.13505 189.4
[M+Na-2H]- 349.09587 181.1
[M]+ 328.12065 179.1
[M]- 328.12175 179.1
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.