CID 390227

Nsc687519

Structural Information

Molecular Formula
C23H17N3
SMILES
C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H17N3/c1-17-23-24-20-14-8-9-15-21(20)25(23)16-22(18-10-4-2-5-11-18)26(17)19-12-6-3-7-13-19/h2-16H,1H2
InChIKey
DSPVQHIMENGVIZ-UHFFFAOYSA-N
Compound name
1-methylidene-2,3-diphenylpyrazino[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.14224 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14952 182.7
[M+Na]+ 358.13146 193.1
[M-H]- 334.13496 190.5
[M+NH4]+ 353.17606 195.4
[M+K]+ 374.10540 183.7
[M+H-H2O]+ 318.13950 170.7
[M+HCOO]- 380.14044 201.2
[M+CH3COO]- 394.15609 193.0
[M+Na-2H]- 356.11691 187.4
[M]+ 335.14169 182.3
[M]- 335.14279 182.3
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.