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]+ 233.08217 150.8
[M+Na]+ 255.06411 163.1
[M-H]- 231.06761 152.2
[M+NH4]+ 250.10871 166.1
[M+K]+ 271.03805 156.0
[M+H-H2O]+ 215.07215 140.1
[M+HCOO]- 277.07309 168.7
[M+CH3COO]- 291.08874 162.8
[M+Na-2H]- 253.04956 165.1
[M]+ 232.07434 152.5
[M]- 232.07544 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