CID 3035349

Ethyl 5-phenanthridinecarboxylate

Structural Information

Molecular Formula
C16H15NO2
SMILES
CCOC(=O)N1CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C16H15NO2/c1-2-19-16(18)17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17/h3-10H,2,11H2,1H3
InChIKey
KAJKCHGGCRPQLG-UHFFFAOYSA-N
Compound name
ethyl 6H-phenanthridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.0
[M+Na]+ 276.09950 172.1
[M+NH4]+ 271.14410 166.4
[M+K]+ 292.07344 163.7
[M-H]- 252.10300 160.3
[M+Na-2H]- 274.08495 163.9
[M]+ 253.10973 160.2
[M]- 253.11083 160.2
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.