CID 63259

Brn 0719279

Structural Information

Molecular Formula
C26H24N4O
SMILES
CC(C)CC(C1=NC2=CC=CC=C2N1)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H24N4O/c1-17(2)16-23(24-27-21-14-8-9-15-22(21)28-24)30-25(18-10-4-3-5-11-18)29-20-13-7-6-12-19(20)26(30)31/h3-15,17,23H,16H2,1-2H3,(H,27,28)
InChIKey
PMMCTOIIGGDTID-UHFFFAOYSA-N
Compound name
3-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.195 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20228 200.9
[M+Na]+ 431.18422 218.8
[M+NH4]+ 426.22882 208.1
[M+K]+ 447.15816 211.1
[M-H]- 407.18772 206.4
[M+Na-2H]- 429.16967 210.3
[M]+ 408.19445 205.2
[M]- 408.19555 205.2
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.