CID 217666

Brn 0488359

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]+ 293.12848 166.5
[M+Na]+ 315.11042 175.4
[M-H]- 291.11392 171.4
[M+NH4]+ 310.15502 182.1
[M+K]+ 331.08436 168.7
[M+H-H2O]+ 275.11846 157.7
[M+HCOO]- 337.11940 183.9
[M+CH3COO]- 351.13505 177.4
[M+Na-2H]- 313.09587 170.7
[M]+ 292.12065 164.9
[M]- 292.12175 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.