CID 9579399

Methyl 2-[(e)-(2-chlorophenyl)methyleneamino]-1-oxo-isoquinoline-4-carboxylate

Structural Information

Molecular Formula
C18H13ClN2O3
SMILES
COC(=O)C1=CN(C(=O)C2=CC=CC=C21)/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C18H13ClN2O3/c1-24-18(23)15-11-21(17(22)14-8-4-3-7-13(14)15)20-10-12-6-2-5-9-16(12)19/h2-11H,1H3/b20-10+
InChIKey
SPADUGZQAFZOJB-KEBDBYFISA-N
Compound name
methyl 2-[(E)-(2-chlorophenyl)methylideneamino]-1-oxoisoquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.06146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06874 175.7
[M+Na]+ 363.05068 186.3
[M-H]- 339.05418 183.7
[M+NH4]+ 358.09528 190.2
[M+K]+ 379.02462 180.5
[M+H-H2O]+ 323.05872 166.8
[M+HCOO]- 385.05966 195.1
[M+CH3COO]- 399.07531 213.5
[M+Na-2H]- 361.03613 181.2
[M]+ 340.06091 181.7
[M]- 340.06201 181.7
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.