CID 491822

9-amino-6-methoxy-3-methyl-pyrrolo[1,2-f)phenanthridine-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula

C₂₁H₂₀N₂O₃

SMILES

CCOC(=O)C1=C(N2C(=C1)C3=C(C4=C2C=C(C=C4)OC)C(=CC=C3)N)C

InChI

InChI=1S/C21H20N2O3/c1-4-26-21(24)16-11-19-14-6-5-7-17(22)20(14)15-9-8-13(25-3)10-18(15)23(19)12(16)2/h5-11H,4,22H2,1-3H3

InChIKey

HYYUJKFNWMZKAY-UHFFFAOYSA-N

Compound name

ethyl 9-amino-6-methoxy-3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 348.1474 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	349.154676	183.6
[M+Na]+	371.136618	195.6
[M-H]-	347.140124	189.9
[M+NH4]+	366.181223	200.7
[M+K]+	387.110558	190.2
[M+H-H2O]+	331.144660	175.6
[M+HCOO]-	393.145601	205.5
[M+CH3COO]-	407.161251	195.7
[M+Na-2H]-	369.122066	187.7
[M]+	348.14685142	191.5
[M]-	348.14794858	191.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.