CID 390231

Nsc687523

Structural Information

Molecular Formula
C23H16N4O2
SMILES
C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI
InChI=1S/C23H16N4O2/c1-16-23-24-20-9-5-6-10-21(20)25(23)15-22(17-7-3-2-4-8-17)26(16)18-11-13-19(14-12-18)27(28)29/h2-15H,1H2
InChIKey
NNTVTPWJSVXMMD-UHFFFAOYSA-N
Compound name
1-methylidene-2-(4-nitrophenyl)-3-phenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.12732 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13460 191.1
[M+Na]+ 403.11654 199.2
[M-H]- 379.12004 199.3
[M+NH4]+ 398.16114 200.8
[M+K]+ 419.09048 186.9
[M+H-H2O]+ 363.12458 183.2
[M+HCOO]- 425.12552 210.2
[M+CH3COO]- 439.14117 215.2
[M+Na-2H]- 401.10199 197.6
[M]+ 380.12677 189.6
[M]- 380.12787 189.6
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.