CID 217666

Pyrrolidine, 1-((5,6-dihydro-6-oxo-3-phenanthridinyl)carbonyl)-

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1CCN(C1)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C18H16N2O2/c21-17-15-6-2-1-5-13(15)14-8-7-12(11-16(14)19-17)18(22)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,19,21)
InChIKey
DGNMKHBOCBYHDR-UHFFFAOYSA-N
Compound name
3-(pyrrolidine-1-carbonyl)-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 166.5
[M+Na]+ 315.110418 175.4
[M-H]- 291.113924 171.4
[M+NH4]+ 310.155023 182.1
[M+K]+ 331.084358 168.7
[M+H-H2O]+ 275.118460 157.7
[M+HCOO]- 337.119401 183.9
[M+CH3COO]- 351.135051 177.4
[M+Na-2H]- 313.095866 170.7
[M]+ 292.12065142 164.9
[M]- 292.12174858 164.9
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.