CID 375472

Nsc655254

Structural Information

Molecular Formula
C14H11NO5
SMILES
C1=CC(=C(C=C1N=CC2=C(C=CC(=C2)O)O)C(=O)O)O
InChI
InChI=1S/C14H11NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-7,16-18H,(H,19,20)
InChIKey
XGAACHAKZZGIBP-UHFFFAOYSA-N
Compound name
5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

273.06372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07100 157.9
[M+Na]+ 296.05294 165.7
[M-H]- 272.05644 161.6
[M+NH4]+ 291.09754 171.8
[M+K]+ 312.02688 161.9
[M+H-H2O]+ 256.06098 150.9
[M+HCOO]- 318.06192 179.1
[M+CH3COO]- 332.07757 194.1
[M+Na-2H]- 294.03839 161.0
[M]+ 273.06317 157.3
[M]- 273.06427 157.3
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.