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]+ 332.13936 176.9
[M+Na]+ 354.12130 186.0
[M-H]- 330.12480 183.4
[M+NH4]+ 349.16590 191.4
[M+K]+ 370.09524 180.1
[M+H-H2O]+ 314.12934 167.0
[M+HCOO]- 376.13028 198.8
[M+CH3COO]- 390.14593 188.0
[M+Na-2H]- 352.10675 183.3
[M]+ 331.13153 180.6
[M]- 331.13263 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.