CID 9575580

[(z)-[amino-(2,4-dichlorophenyl)methylene]amino] quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C16H10Cl2N4O2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(=O)O/N=C(/C3=C(C=C(C=C3)Cl)Cl)\N
InChI
InChI=1S/C16H10Cl2N4O2/c17-9-5-6-10(11(18)7-9)15(19)22-24-16(23)14-8-20-12-3-1-2-4-13(12)21-14/h1-8H,(H2,19,22)
InChIKey
RQGRJEFFRQSICR-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.01807 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.02535 177.2
[M+Na]+ 383.00729 186.7
[M-H]- 359.01079 182.4
[M+NH4]+ 378.05189 189.1
[M+K]+ 398.98123 180.4
[M+H-H2O]+ 343.01533 168.3
[M+HCOO]- 405.01627 190.0
[M+CH3COO]- 419.03192 187.4
[M+Na-2H]- 380.99274 182.4
[M]+ 360.01752 181.2
[M]- 360.01862 181.2
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.