CID 9671838

477732-56-2

Structural Information

Molecular Formula
C18H11Cl3N4O2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)/C=N/NC(=O)C(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C18H11Cl3N4O2/c19-12-5-3-7-14(15(12)20)24-17(26)18(27)25-22-9-11-8-10-4-1-2-6-13(10)23-16(11)21/h1-9H,(H,24,26)(H,25,27)/b22-9+
InChIKey
GDRMHBSZGIRNJW-LSFURLLWSA-N
Compound name
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.99475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.00203 192.2
[M+Na]+ 442.98397 201.3
[M-H]- 418.98747 198.0
[M+NH4]+ 438.02857 203.5
[M+K]+ 458.95791 194.3
[M+H-H2O]+ 402.99201 184.8
[M+HCOO]- 464.99295 202.1
[M+CH3COO]- 479.00860 229.1
[M+Na-2H]- 440.96942 195.7
[M]+ 419.99420 197.1
[M]- 419.99530 197.1
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.