CID 491828

6-chloro-11-methoxy-3-methyl-pyrrolo[1,2-f]phenanthridine-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C21H18ClNO3
SMILES
CCOC(=O)C1=C(N2C(=C1)C3=C(C=CC(=C3)OC)C4=C2C=C(C=C4)Cl)C
InChI
InChI=1S/C21H18ClNO3/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,4H2,1-3H3
InChIKey
LPVCELONTOSDRE-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-11-methoxy-3-methylpyrrolo[1,2-f]phenanthridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.09753 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10481 186.4
[M+Na]+ 390.08675 200.2
[M-H]- 366.09025 193.0
[M+NH4]+ 385.13135 204.2
[M+K]+ 406.06069 193.5
[M+H-H2O]+ 350.09479 179.1
[M+HCOO]- 412.09573 203.3
[M+CH3COO]- 426.11138 198.8
[M+Na-2H]- 388.07220 190.2
[M]+ 367.09698 198.1
[M]- 367.09808 198.1
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.