CID 135480599

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

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C2C(=C1)C(=CN(C2=O)/N=C/C3=CC=C(C=C3)O)C(=O)O
InChI
InChI=1S/C17H12N2O4/c20-12-7-5-11(6-8-12)9-18-19-10-15(17(22)23)13-3-1-2-4-14(13)16(19)21/h1-10,20H,(H,22,23)/b18-9+
InChIKey
CHGGMRSRYYIYOG-GIJQJNRQSA-N
Compound name
2-[(E)-(4-hydroxyphenyl)methylideneamino]-1-oxoisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 167.5
[M+Na]+ 331.06892 176.6
[M-H]- 307.07242 173.2
[M+NH4]+ 326.11352 180.8
[M+K]+ 347.04286 171.7
[M+H-H2O]+ 291.07696 158.6
[M+HCOO]- 353.07790 189.0
[M+CH3COO]- 367.09355 205.3
[M+Na-2H]- 329.05437 173.3
[M]+ 308.07915 168.7
[M]- 308.08025 168.7
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.