CID 392814

Nsc693770

Structural Information

Molecular Formula
C17H15N3O4S
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(S3)C(=O)OC
InChI
InChI=1S/C17H15N3O4S/c1-3-24-17(22)14-15(19-11-7-5-4-6-10(11)18-14)20-13-9-8-12(25-13)16(21)23-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKey
NUGZBPUBMHDLLR-UHFFFAOYSA-N
Compound name
ethyl 3-[(5-methoxycarbonylthiophen-2-yl)amino]quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07834 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08562 180.7
[M+Na]+ 380.06756 189.9
[M-H]- 356.07106 186.9
[M+NH4]+ 375.11216 194.0
[M+K]+ 396.04150 185.9
[M+H-H2O]+ 340.07560 172.3
[M+HCOO]- 402.07654 198.7
[M+CH3COO]- 416.09219 212.7
[M+Na-2H]- 378.05301 182.8
[M]+ 357.07779 188.6
[M]- 357.07889 188.6
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.