CID 509476

Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate

Structural Information

Molecular Formula
C21H18N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4
InChI
InChI=1S/C21H18N2O3/c1-2-25-21(24)15-9-11-16(12-10-15)26-14-18-20-8-5-13-23(20)19-7-4-3-6-17(19)22-18/h3-13H,2,14H2,1H3
InChIKey
MZRYYFPYCWRKQL-UHFFFAOYSA-N
Compound name
ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.13174 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.139016 182.2
[M+Na]+ 369.120958 191.5
[M-H]- 345.124464 188.6
[M+NH4]+ 364.165563 196.2
[M+K]+ 385.094898 186.1
[M+H-H2O]+ 329.129000 172.1
[M+HCOO]- 391.129941 202.7
[M+CH3COO]- 405.145591 193.2
[M+Na-2H]- 367.106406 187.1
[M]+ 346.13119142 188.0
[M]- 346.13228858 188.0
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.