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 176.4
[M+Na]+ 352.06118 190.6
[M-H]- 328.06468 182.7
[M+NH4]+ 347.10578 191.8
[M+K]+ 368.03512 180.9
[M+H-H2O]+ 312.06922 165.6
[M+HCOO]- 374.07016 192.2
[M+CH3COO]- 388.08581 188.2
[M+Na-2H]- 350.04663 184.7
[M]+ 329.07141 182.1
[M]- 329.07251 182.1
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.