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
2
Annotation Hits

0
References

248
Patents

280.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 165.0
[M+Na]+ 303.146778 174.4
[M-H]- 279.150284 170.6
[M+NH4]+ 298.191383 182.4
[M+K]+ 319.120718 169.7
[M+H-H2O]+ 263.154820 156.1
[M+HCOO]- 325.155761 188.0
[M+CH3COO]- 339.171411 177.4
[M+Na-2H]- 301.132226 173.1
[M]+ 280.15701142 169.7
[M]- 280.15810858 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

literature stripe

Patent stripe

patents stripe