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]+ 347.13902 182.2
[M+Na]+ 369.12096 191.5
[M-H]- 345.12446 188.6
[M+NH4]+ 364.16556 196.2
[M+K]+ 385.09490 186.1
[M+H-H2O]+ 329.12900 172.1
[M+HCOO]- 391.12994 202.7
[M+CH3COO]- 405.14559 193.2
[M+Na-2H]- 367.10641 187.1
[M]+ 346.13119 188.0
[M]- 346.13229 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.