CID 463103

Vuf8842

Structural Information

Molecular Formula
C18H13N5
SMILES
C1=CC=NC(=C1)C(=NC2=NC3=C(C=CC4=C3N=CC=C4)C=C2)N
InChI
InChI=1S/C18H13N5/c19-18(14-5-1-2-10-20-14)23-15-9-8-13-7-6-12-4-3-11-21-16(12)17(13)22-15/h1-11H,(H2,19,22,23)
InChIKey
CDGMSMRAQJVAQC-UHFFFAOYSA-N
Compound name
N'-(1,10-phenanthrolin-2-yl)pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12438 167.9
[M+Na]+ 322.10632 177.1
[M-H]- 298.10982 173.3
[M+NH4]+ 317.15092 180.2
[M+K]+ 338.08026 169.9
[M+H-H2O]+ 282.11436 156.4
[M+HCOO]- 344.11530 189.6
[M+CH3COO]- 358.13095 178.6
[M+Na-2H]- 320.09177 179.5
[M]+ 299.11655 167.5
[M]- 299.11765 167.5
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

No patent data available for this compound.