CID 9579391

2-[(e)-(4-methoxyphenyl)methyleneamino]-1-oxo-isoquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H14N2O4
SMILES
COC1=CC=C(C=C1)/C=N/N2C=C(C3=CC=CC=C3C2=O)C(=O)O
InChI
InChI=1S/C18H14N2O4/c1-24-13-8-6-12(7-9-13)10-19-20-11-16(18(22)23)14-4-2-3-5-15(14)17(20)21/h2-11H,1H3,(H,22,23)/b19-10+
InChIKey
HEWBQMZNABGVSJ-VXLYETTFSA-N
Compound name
2-[(E)-(4-methoxyphenyl)methylideneamino]-1-oxoisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.9
[M+Na]+ 345.08459 180.9
[M-H]- 321.08809 178.8
[M+NH4]+ 340.12919 185.3
[M+K]+ 361.05853 176.6
[M+H-H2O]+ 305.09263 162.5
[M+HCOO]- 367.09357 194.6
[M+CH3COO]- 381.10922 210.5
[M+Na-2H]- 343.07004 177.6
[M]+ 322.09482 175.3
[M]- 322.09592 175.3
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.