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 201.9
[M+Na]+ 431.18422 210.2
[M-H]- 407.18772 207.2
[M+NH4]+ 426.22882 209.3
[M+K]+ 447.15816 201.0
[M+H-H2O]+ 391.19226 189.4
[M+HCOO]- 453.19320 215.9
[M+CH3COO]- 467.20885 209.6
[M+Na-2H]- 429.16967 204.0
[M]+ 408.19445 202.8
[M]- 408.19555 202.8
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.