CID 463101

Vuf-8827

Structural Information

Molecular Formula
C19H13N3O
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC4=C3N=CC=C4)C=C2
InChI
InChI=1S/C19H13N3O/c23-19(15-5-2-1-3-6-15)22-16-11-10-14-9-8-13-7-4-12-20-17(13)18(14)21-16/h1-12H,(H,21,22,23)
InChIKey
IMYKVLLBPSJPGB-UHFFFAOYSA-N
Compound name
N-(1,10-phenanthrolin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

299.10587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11315 167.7
[M+Na]+ 322.09509 176.7
[M-H]- 298.09859 173.6
[M+NH4]+ 317.13969 181.2
[M+K]+ 338.06903 169.9
[M+H-H2O]+ 282.10313 157.1
[M+HCOO]- 344.10407 188.7
[M+CH3COO]- 358.11972 178.7
[M+Na-2H]- 320.08054 178.4
[M]+ 299.10532 168.2
[M]- 299.10642 168.2
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.