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

3
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

patents stripe