CID 63260

Brn 0712292

Structural Information

Molecular Formula
C25H22N4O
SMILES
CC(C)C(C1=NC2=CC=CC=C2N1)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H22N4O/c1-16(2)22(23-26-20-14-8-9-15-21(20)27-23)29-24(17-10-4-3-5-11-17)28-19-13-7-6-12-18(19)25(29)30/h3-16,22H,1-2H3,(H,26,27)
InChIKey
TVPGKRWEJZREAO-UHFFFAOYSA-N
Compound name
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.17935 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.186626 197.6
[M+Na]+ 417.168568 206.4
[M-H]- 393.172074 203.1
[M+NH4]+ 412.213173 205.6
[M+K]+ 433.142508 197.3
[M+H-H2O]+ 377.176610 185.3
[M+HCOO]- 439.177551 211.9
[M+CH3COO]- 453.193201 205.7
[M+Na-2H]- 415.154016 200.2
[M]+ 394.17880142 198.2
[M]- 394.17989858 198.2
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.