CID 217665

Methyl 6-methyl-3-phenanthridinecarboxylate

Structural Information

Molecular Formula
C16H13NO2
SMILES
CC1=NC2=C(C=CC(=C2)C(=O)OC)C3=CC=CC=C13
InChI
InChI=1S/C16H13NO2/c1-10-12-5-3-4-6-13(12)14-8-7-11(16(18)19-2)9-15(14)17-10/h3-9H,1-2H3
InChIKey
MJEVRGLXKDWWSL-UHFFFAOYSA-N
Compound name
methyl 6-methylphenanthridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 154.6
[M+Na]+ 274.08386 171.9
[M+NH4]+ 269.12846 164.2
[M+K]+ 290.05780 163.3
[M-H]- 250.08736 158.4
[M+Na-2H]- 272.06931 163.1
[M]+ 251.09409 158.5
[M]- 251.09519 158.5
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.