CID 162345388

Ns00133006

Structural Information

Molecular Formula
C14H11NO5
SMILES
C1=CC(=C(C=C1O)C=NC2=CC(=C(C=C2C=O)O)O)O
InChI
InChI=1S/C14H11NO5/c16-7-9-4-13(19)14(20)5-11(9)15-6-8-3-10(17)1-2-12(8)18/h1-7,17-20H
InChIKey
OXNVULWHSCFFDZ-UHFFFAOYSA-N
Compound name
2-[(2,5-dihydroxyphenyl)methylideneamino]-4,5-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.070996 157.7
[M+Na]+ 296.052938 166.8
[M-H]- 272.056444 161.8
[M+NH4]+ 291.097543 172.0
[M+K]+ 312.026878 162.4
[M+H-H2O]+ 256.060980 150.8
[M+HCOO]- 318.061921 179.9
[M+CH3COO]- 332.077571 194.5
[M+Na-2H]- 294.038386 161.3
[M]+ 273.06317142 158.2
[M]- 273.06426858 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.