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]+ 395.18663 196.4
[M+Na]+ 417.16857 214.6
[M+NH4]+ 412.21317 203.8
[M+K]+ 433.14251 207.1
[M-H]- 393.17207 202.0
[M+Na-2H]- 415.15402 206.2
[M]+ 394.17880 200.8
[M]- 394.17990 200.8
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.