CID 630167

105997-06-6

Structural Information

Molecular Formula
C20H12ClN3
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C20H12ClN3/c21-14-11-9-13(10-12-14)19-22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24(19)20/h1-12H
InChIKey
RIWUKOKYYDOJSC-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.07196 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07924 175.8
[M+Na]+ 352.06118 197.9
[M+NH4]+ 347.10578 186.8
[M+K]+ 368.03512 187.4
[M-H]- 328.06468 182.5
[M+Na-2H]- 350.04663 187.2
[M]+ 329.07141 181.8
[M]- 329.07251 181.8
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.