CID 63803

Brn 0964453

Structural Information

Molecular Formula
C22H16N4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C22H16N4O/c27-22-16-10-4-5-11-17(16)25-21(15-8-2-1-3-9-15)26(22)14-20-23-18-12-6-7-13-19(18)24-20/h1-13H,14H2,(H,23,24)
InChIKey
XBRBBKPTJPYNHH-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-ylmethyl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13242 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.139696 185.1
[M+Na]+ 375.121638 196.3
[M-H]- 351.125144 191.0
[M+NH4]+ 370.166243 195.1
[M+K]+ 391.095578 186.5
[M+H-H2O]+ 335.129680 173.0
[M+HCOO]- 397.130621 202.6
[M+CH3COO]- 411.146271 194.8
[M+Na-2H]- 373.107086 191.3
[M]+ 352.13187142 186.0
[M]- 352.13296858 186.0
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.