CID 28692

17692-37-4

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C3C1=O
InChI
InChI=1S/C18H20N2O/c1-19(2)12-7-13-20-17-11-6-5-9-15(17)14-8-3-4-10-16(14)18(20)21/h3-6,8-11H,7,12-13H2,1-2H3
InChIKey
TVPFRFLDGAWGAM-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

280.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.0
[M+Na]+ 303.14678 174.4
[M-H]- 279.15028 170.6
[M+NH4]+ 298.19138 182.4
[M+K]+ 319.12072 169.7
[M+H-H2O]+ 263.15482 156.1
[M+HCOO]- 325.15576 188.0
[M+CH3COO]- 339.17141 177.4
[M+Na-2H]- 301.13223 173.1
[M]+ 280.15701 169.7
[M]- 280.15811 169.7
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.