CID 18719622

N-1,10-phenanthrolin-5-ylacetamide

Structural Information

Molecular Formula
C14H11N3O
SMILES
CC(=O)NC1=C2C=CC=NC2=C3C(=C1)C=CC=N3
InChI
InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)
InChIKey
AAJXINSCZMZERD-UHFFFAOYSA-N
Compound name
N-(1,10-phenanthrolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

237.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 150.6
[M+Na]+ 260.07943 160.8
[M-H]- 236.08293 154.0
[M+NH4]+ 255.12403 167.5
[M+K]+ 276.05337 155.8
[M+H-H2O]+ 220.08747 142.0
[M+HCOO]- 282.08841 172.4
[M+CH3COO]- 296.10406 163.2
[M+Na-2H]- 258.06488 161.6
[M]+ 237.08966 152.3
[M]- 237.09076 152.3
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