CID 384476

3-(4-chlorophenyl)-1-phenylpyrazino[1,2-a]benzimidazole

Structural Information

Molecular Formula
C22H14ClN3
SMILES
C1=CC=C(C=C1)C2=NC(=CN3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H14ClN3/c23-17-12-10-15(11-13-17)19-14-26-20-9-5-4-8-18(20)25-22(26)21(24-19)16-6-2-1-3-7-16/h1-14H
InChIKey
YDDCEKLWCMVLRN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.08762 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09490 185.0
[M+Na]+ 378.07684 197.3
[M-H]- 354.08034 192.9
[M+NH4]+ 373.12144 197.9
[M+K]+ 394.05078 187.4
[M+H-H2O]+ 338.08488 173.2
[M+HCOO]- 400.08582 200.3
[M+CH3COO]- 414.10147 195.7
[M+Na-2H]- 376.06229 190.7
[M]+ 355.08707 188.7
[M]- 355.08817 188.7
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

No patent data available for this compound.