CID 4858

Pj34

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32
InChI
InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKey
UYJZZVDLGDDTCL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

292
References

674
Patents

295.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 165.8
[M+Na]+ 318.121298 174.3
[M-H]- 294.124804 170.4
[M+NH4]+ 313.165903 181.4
[M+K]+ 334.095238 169.8
[M+H-H2O]+ 278.129340 157.4
[M+HCOO]- 340.130281 188.1
[M+CH3COO]- 354.145931 210.2
[M+Na-2H]- 316.106746 173.7
[M]+ 295.13153142 167.9
[M]- 295.13262858 167.9
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