CID 9579404

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

Structural Information

Molecular Formula
C19H16N2O4
SMILES
COC1=CC=C(C=C1)/C=N/N2C=C(C3=CC=CC=C3C2=O)C(=O)OC
InChI
InChI=1S/C19H16N2O4/c1-24-14-9-7-13(8-10-14)11-20-21-12-17(19(23)25-2)15-5-3-4-6-16(15)18(21)22/h3-12H,1-2H3/b20-11+
InChIKey
FHDXXZSXACOSLK-RGVLZGJSSA-N
Compound name
methyl 2-[(E)-(4-methoxyphenyl)methylideneamino]-1-oxoisoquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.111 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 176.7
[M+Na]+ 359.10022 185.7
[M-H]- 335.10372 184.8
[M+NH4]+ 354.14482 190.2
[M+K]+ 375.07416 182.0
[M+H-H2O]+ 319.10826 166.7
[M+HCOO]- 381.10920 200.4
[M+CH3COO]- 395.12485 215.1
[M+Na-2H]- 357.08567 182.2
[M]+ 336.11045 182.0
[M]- 336.11155 182.0
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.