CID 400207

Nsc711725

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4
InChI
InChI=1S/C20H17N3O2/c1-2-25-20(24)14-9-11-15(12-10-14)21-19-18-8-5-13-23(18)17-7-4-3-6-16(17)22-19/h3-13H,2H2,1H3,(H,21,22)
InChIKey
DQQYAUGXYKNVPF-UHFFFAOYSA-N
Compound name
ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.13208 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.139356 176.9
[M+Na]+ 354.121298 186.0
[M-H]- 330.124804 183.4
[M+NH4]+ 349.165903 191.4
[M+K]+ 370.095238 180.1
[M+H-H2O]+ 314.129340 167.0
[M+HCOO]- 376.130281 198.8
[M+CH3COO]- 390.145931 188.0
[M+Na-2H]- 352.106746 183.3
[M]+ 331.13153142 180.6
[M]- 331.13262858 180.6
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.