CID 63492

Brn 0726831

Structural Information

Molecular Formula
C31H26N4O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C(CC3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C31H26N4O/c1-20-17-26-27(18-21(20)2)33-29(32-26)28(19-22-11-5-3-6-12-22)35-30(23-13-7-4-8-14-23)34-25-16-10-9-15-24(25)31(35)36/h3-18,28H,19H2,1-2H3,(H,32,33)
InChIKey
RZBVSCDCCKXHCJ-UHFFFAOYSA-N
Compound name
3-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.21066 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.21794 220.5
[M+Na]+ 493.19988 229.5
[M-H]- 469.20338 228.9
[M+NH4]+ 488.24448 225.0
[M+K]+ 509.17382 218.4
[M+H-H2O]+ 453.20792 206.2
[M+HCOO]- 515.20886 234.3
[M+CH3COO]- 529.22451 227.1
[M+Na-2H]- 491.18533 221.3
[M]+ 470.21011 221.2
[M]- 470.21121 221.2
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.