CID 5471216

Nsc709478

Structural Information

Molecular Formula
C23H17N3O
SMILES
CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)/C=C/C5=CC=CO5
InChI
InChI=1S/C23H17N3O/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
HPKMPHSMTRQXDQ-OUKQBFOZSA-N
Compound name
1-[(E)-2-(furan-2-yl)ethenyl]-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.13718 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14446 184.7
[M+Na]+ 374.12640 197.3
[M-H]- 350.12990 194.7
[M+NH4]+ 369.17100 197.9
[M+K]+ 390.10034 189.9
[M+H-H2O]+ 334.13444 174.6
[M+HCOO]- 396.13538 206.4
[M+CH3COO]- 410.15103 196.6
[M+Na-2H]- 372.11185 188.5
[M]+ 351.13663 190.2
[M]- 351.13773 190.2
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.