CID 630151

6-(2-chlorophenyl)benzo[4,5]imidazo[1,2-c]-quinazoline

Structural Information

Molecular Formula
C20H12ClN3
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)C5=CC=CC=C5Cl
InChI
InChI=1S/C20H12ClN3/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12H
InChIKey
LYNSDQPITKSTQY-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
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

literature stripe

Patent stripe

patents stripe