CID 6478365

1-[(e)-2-(2-furyl)vinyl]-3-(4-methoxyphenyl)pyrazino[1,2-a]benzimidazole

Structural Information

Molecular Formula
C23H17N3O2
SMILES
COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)/C=C/C5=CC=CO5
InChI
InChI=1S/C23H17N3O2/c1-27-17-10-8-16(9-11-17)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-28-18/h2-15H,1H3/b13-12+
InChIKey
ZPNBGVFQHKZHDG-OUKQBFOZSA-N
Compound name
1-[(E)-2-(furan-2-yl)ethenyl]-3-(4-methoxyphenyl)pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.13208 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13936 187.5
[M+Na]+ 390.12130 199.7
[M-H]- 366.12480 197.5
[M+NH4]+ 385.16590 199.9
[M+K]+ 406.09524 193.2
[M+H-H2O]+ 350.12934 177.2
[M+HCOO]- 412.13028 209.3
[M+CH3COO]- 426.14593 199.2
[M+Na-2H]- 388.10675 191.4
[M]+ 367.13153 194.3
[M]- 367.13263 194.3
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.