CID 382849

Nsc670679

Structural Information

Molecular Formula
C17H13Cl2N3O2
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3O2/c1-2-24-17(23)15-16(20-10-7-8-11(18)12(19)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22)
InChIKey
KYXLSESNPQHFMS-UHFFFAOYSA-N
Compound name
ethyl 3-(3,4-dichloroanilino)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.03848 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04576 178.7
[M+Na]+ 384.02770 189.0
[M-H]- 360.03120 183.0
[M+NH4]+ 379.07230 190.8
[M+K]+ 400.00164 182.0
[M+H-H2O]+ 344.03574 169.8
[M+HCOO]- 406.03668 189.9
[M+CH3COO]- 420.05233 188.9
[M+Na-2H]- 382.01315 183.6
[M]+ 361.03793 184.3
[M]- 361.03903 184.3
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.