CID 63579

Brn 5639587

Structural Information

Molecular Formula
C27H18N4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C27H18N4O/c32-27-21-13-4-5-14-22(21)30-26(18-9-2-1-3-10-18)31(27)20-12-8-11-19(17-20)25-28-23-15-6-7-16-24(23)29-25/h1-17H,(H,28,29)
InChIKey
FHFIZJRIVCRICK-UHFFFAOYSA-N
Compound name
3-[3-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.14807 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15535 202.7
[M+Na]+ 437.13729 213.3
[M-H]- 413.14079 211.3
[M+NH4]+ 432.18189 209.4
[M+K]+ 453.11123 202.1
[M+H-H2O]+ 397.14533 188.8
[M+HCOO]- 459.14627 219.0
[M+CH3COO]- 473.16192 211.0
[M+Na-2H]- 435.12274 207.3
[M]+ 414.14752 202.4
[M]- 414.14862 202.4
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.