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 154.9
[M+Na]+ 274.08386 165.7
[M-H]- 250.08736 159.8
[M+NH4]+ 269.12846 173.2
[M+K]+ 290.05780 161.3
[M+H-H2O]+ 234.09190 147.0
[M+HCOO]- 296.09284 176.3
[M+CH3COO]- 310.10849 168.1
[M+Na-2H]- 272.06931 163.3
[M]+ 251.09409 159.2
[M]- 251.09519 159.2
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

patents stripe