CID 463102

N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide

Structural Information

Molecular Formula
C19H14N4
SMILES
C1=CC=C(C=C1)C(=NC2=NC3=C(C=CC4=C3N=CC=C4)C=C2)N
InChI
InChI=1S/C19H14N4/c20-19(15-5-2-1-3-6-15)23-16-11-10-14-9-8-13-7-4-12-21-17(13)18(14)22-16/h1-12H,(H2,20,22,23)
InChIKey
JMEYMBAUUVMVOU-UHFFFAOYSA-N
Compound name
N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

298.12186 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12914 167.7
[M+Na]+ 321.11108 176.4
[M-H]- 297.11458 174.3
[M+NH4]+ 316.15568 181.4
[M+K]+ 337.08502 169.4
[M+H-H2O]+ 281.11912 156.8
[M+HCOO]- 343.12006 190.4
[M+CH3COO]- 357.13571 178.7
[M+Na-2H]- 319.09653 178.5
[M]+ 298.12131 167.1
[M]- 298.12241 167.1
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