CID 491817

Chembl3608676

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CCOC(=O)C1=C(N2C(=C1)C3=C(C=CC(=C3)OC)C4=C2C=C(C=C4)N)C
InChI
InChI=1S/C21H20N2O3/c1-4-26-21(24)17-11-20-18-10-14(25-3)6-8-15(18)16-7-5-13(22)9-19(16)23(20)12(17)2/h5-11H,4,22H2,1-3H3
InChIKey
CMRFSBDINPYJOT-UHFFFAOYSA-N
Compound name
ethyl 6-amino-11-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]+ 349.15468 183.6
[M+Na]+ 371.13662 195.6
[M-H]- 347.14012 189.9
[M+NH4]+ 366.18122 200.7
[M+K]+ 387.11056 190.2
[M+H-H2O]+ 331.14466 175.6
[M+HCOO]- 393.14560 205.5
[M+CH3COO]- 407.16125 195.7
[M+Na-2H]- 369.12207 187.7
[M]+ 348.14685 191.5
[M]- 348.14795 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.