CID 384958

Nsc675782

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H19N3O3/c1-3-25-19(23)17-18(22-16-7-5-4-6-15(16)21-17)20-12-13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKey
RSXQMVIZBVKTOE-UHFFFAOYSA-N
Compound name
ethyl 3-[(4-methoxyphenyl)methylamino]quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.14264 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 179.9
[M+Na]+ 360.13186 187.1
[M-H]- 336.13536 184.6
[M+NH4]+ 355.17646 191.1
[M+K]+ 376.10580 182.6
[M+H-H2O]+ 320.13990 169.2
[M+HCOO]- 382.14084 200.2
[M+CH3COO]- 396.15649 214.0
[M+Na-2H]- 358.11731 185.8
[M]+ 337.14209 183.5
[M]- 337.14319 183.5
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.