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]+ 309.086976 167.5
[M+Na]+ 331.068918 176.6
[M-H]- 307.072424 173.2
[M+NH4]+ 326.113523 180.8
[M+K]+ 347.042858 171.7
[M+H-H2O]+ 291.076960 158.6
[M+HCOO]- 353.077901 189.0
[M+CH3COO]- 367.093551 205.3
[M+Na-2H]- 329.054366 173.3
[M]+ 308.07915142 168.7
[M]- 308.08024858 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.