CID 5471209

Nsc709471

Structural Information

Molecular Formula
C24H15Cl2N3
SMILES
C1=CC=C2C(=C1)N=C3N2C=C(N=C3/C=C/C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H15Cl2N3/c25-18-10-5-16(6-11-18)7-14-21-24-28-20-3-1-2-4-23(20)29(24)15-22(27-21)17-8-12-19(26)13-9-17/h1-15H/b14-7+
InChIKey
PHLUJQIPOUPQMU-VGOFMYFVSA-N
Compound name
3-(4-chlorophenyl)-1-[(E)-2-(4-chlorophenyl)ethenyl]pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.0643 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.07158 200.5
[M+Na]+ 438.05352 213.3
[M-H]- 414.05702 207.3
[M+NH4]+ 433.09812 211.7
[M+K]+ 454.02746 201.9
[M+H-H2O]+ 398.06156 188.3
[M+HCOO]- 460.06250 210.0
[M+CH3COO]- 474.07815 209.8
[M+Na-2H]- 436.03897 203.4
[M]+ 415.06375 205.8
[M]- 415.06485 205.8
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.