CID 491823

1-(6-amino-3-methyl-pyrrolo[1,2-f]phenanthridin-2-yl)-ethanone

Structural Information

Molecular Formula
C19H16N2O
SMILES
CC1=C(C=C2N1C3=C(C=CC(=C3)N)C4=CC=CC=C42)C(=O)C
InChI
InChI=1S/C19H16N2O/c1-11-17(12(2)22)10-19-15-6-4-3-5-14(15)16-8-7-13(20)9-18(16)21(11)19/h3-10H,20H2,1-2H3
InChIKey
LCAVPOZTGBYSIP-UHFFFAOYSA-N
Compound name
1-(6-amino-3-methylpyrrolo[1,2-f]phenanthridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.12625 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13353 167.2
[M+Na]+ 311.11547 179.8
[M-H]- 287.11897 173.5
[M+NH4]+ 306.16007 186.7
[M+K]+ 327.08941 173.1
[M+H-H2O]+ 271.12351 159.8
[M+HCOO]- 333.12445 189.6
[M+CH3COO]- 347.14010 180.2
[M+Na-2H]- 309.10092 172.9
[M]+ 288.12570 171.4
[M]- 288.12680 171.4
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

No patent data available for this compound.