CID 63808

Brn 0723082

Structural Information

Molecular Formula
C29H22N4O
SMILES
C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C29H22N4O/c34-29-22-15-7-8-16-23(22)32-28(21-13-5-2-6-14-21)33(29)26(19-20-11-3-1-4-12-20)27-30-24-17-9-10-18-25(24)31-27/h1-18,26H,19H2,(H,30,31)
InChIKey
JDCUJSNUJBKYAC-UHFFFAOYSA-N
Compound name
3-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.17935 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.18663 208.9
[M+Na]+ 465.16857 217.1
[M-H]- 441.17207 216.8
[M+NH4]+ 460.21317 214.0
[M+K]+ 481.14251 206.3
[M+H-H2O]+ 425.17661 194.7
[M+HCOO]- 487.17755 223.5
[M+CH3COO]- 501.19320 215.9
[M+Na-2H]- 463.15402 212.4
[M]+ 442.17880 208.2
[M]- 442.17990 208.2
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.