CID 491818

Chembl3608677

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CCOC(=O)C1=C(N2C3=CC=CC(=C3C4=C(C2=C1)C=CC=C4OC)N)C
InChI
InChI=1S/C21H20N2O3/c1-4-26-21(24)14-11-17-13-7-5-10-18(25-3)19(13)20-15(22)8-6-9-16(20)23(17)12(14)2/h5-11H,4,22H2,1-3H3
InChIKey
IINBCQIFRNXKOQ-UHFFFAOYSA-N
Compound name
ethyl 8-amino-9-methoxy-3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.