CID 491824

1-(6-amino-11-methoxy-3-methyl-pyrrolo[1,2-f]phenanthridin-2-yl)-ethanone

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CC1=C(C=C2N1C3=C(C=CC(=C3)N)C4=C2C=C(C=C4)OC)C(=O)C
InChI
InChI=1S/C20H18N2O2/c1-11-17(12(2)23)10-20-18-9-14(24-3)5-7-15(18)16-6-4-13(21)8-19(16)22(11)20/h4-10H,21H2,1-3H3
InChIKey
HVBIBJGZYZMBBX-UHFFFAOYSA-N
Compound name
1-(6-amino-11-methoxy-3-methylpyrrolo[1,2-f]phenanthridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.7
[M+Na]+ 341.12606 188.3
[M-H]- 317.12956 182.1
[M+NH4]+ 336.17066 194.1
[M+K]+ 357.10000 182.3
[M+H-H2O]+ 301.13410 168.1
[M+HCOO]- 363.13504 197.8
[M+CH3COO]- 377.15069 188.4
[M+Na-2H]- 339.11151 180.2
[M]+ 318.13629 181.9
[M]- 318.13739 181.9
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

No patent data available for this compound.