CID 390229

Nsc687521

Structural Information

Molecular Formula
C24H19N3O
SMILES
COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=CC=C5
InChI
InChI=1S/C24H19N3O/c1-17-24-25-21-10-6-7-11-22(21)26(24)16-23(18-8-4-3-5-9-18)27(17)19-12-14-20(28-2)15-13-19/h3-16H,1H2,2H3
InChIKey
VUGPMUJMIOGVIF-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-methylidene-3-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.1528 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16008 191.3
[M+Na]+ 388.14202 201.8
[M-H]- 364.14552 199.4
[M+NH4]+ 383.18662 202.9
[M+K]+ 404.11596 193.0
[M+H-H2O]+ 348.15006 179.1
[M+HCOO]- 410.15100 209.5
[M+CH3COO]- 424.16665 201.3
[M+Na-2H]- 386.12747 194.8
[M]+ 365.15225 192.9
[M]- 365.15335 192.9
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.