CID 491816

Ethyl 6-amino-3-methyl-pyrrolo[1,2-f]phenanthridine-2-carboxylate

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CCOC(=O)C1=C(N2C(=C1)C3=CC=CC=C3C4=C2C=C(C=C4)N)C
InChI
InChI=1S/C20H18N2O2/c1-3-24-20(23)17-11-19-15-7-5-4-6-14(15)16-9-8-13(21)10-18(16)22(19)12(17)2/h4-11H,3,21H2,1-2H3
InChIKey
DTFGLQBHUOYDCA-UHFFFAOYSA-N
Compound name
ethyl 6-amino-3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.4
[M+Na]+ 341.12606 187.3
[M-H]- 317.12956 181.5
[M+NH4]+ 336.17066 193.5
[M+K]+ 357.10000 181.1
[M+H-H2O]+ 301.13410 167.5
[M+HCOO]- 363.13504 197.5
[M+CH3COO]- 377.15069 187.7
[M+Na-2H]- 339.11151 180.6
[M]+ 318.13629 181.1
[M]- 318.13739 181.1
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.