CID 6478366

3-(p-tolyl)-1-[(e)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole

Structural Information

Molecular Formula
C23H17N3S
SMILES
CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)/C=C/C5=CC=CS5
InChI
InChI=1S/C23H17N3S/c1-16-8-10-17(11-9-16)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-27-18/h2-15H,1H3/b13-12+
InChIKey
LLOWASSXQMBMSH-OUKQBFOZSA-N
Compound name
3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.11432 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12160 188.9
[M+Na]+ 390.10354 202.8
[M-H]- 366.10704 198.8
[M+NH4]+ 385.14814 204.1
[M+K]+ 406.07748 193.7
[M+H-H2O]+ 350.11158 180.2
[M+HCOO]- 412.11252 207.3
[M+CH3COO]- 426.12817 200.8
[M+Na-2H]- 388.08899 190.1
[M]+ 367.11377 195.5
[M]- 367.11487 195.5
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.