CID 11765072

Pyrazino[2,3-f][1,10]phenanthroline

Structural Information

Molecular Formula
C14H8N4
SMILES
C1=CC2=C(C3=C(C=CC=N3)C4=NC=CN=C24)N=C1
InChI
InChI=1S/C14H8N4/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-8H
InChIKey
IBOSPAWVGHGUAV-UHFFFAOYSA-N
Compound name
pyrazino[2,3-f][1,10]phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

81
Patents

232.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.082166 150.8
[M+Na]+ 255.064108 163.1
[M-H]- 231.067614 152.2
[M+NH4]+ 250.108713 166.1
[M+K]+ 271.038048 156.0
[M+H-H2O]+ 215.072150 140.1
[M+HCOO]- 277.073091 168.7
[M+CH3COO]- 291.088741 162.8
[M+Na-2H]- 253.049556 165.1
[M]+ 232.07434142 152.5
[M]- 232.07543858 152.5
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

patents stripe