CID 263453

17745-91-4

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC(=NN=C(C)C1=C(C=C(C=C1)O)O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H16N2O4/c1-9(13-5-3-11(19)7-15(13)21)17-18-10(2)14-6-4-12(20)8-16(14)22/h3-8,19-22H,1-2H3
InChIKey
FKKDSIYPIRBAAP-UHFFFAOYSA-N
Compound name
4-[N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 168.3
[M+Na]+ 323.100218 174.8
[M-H]- 299.103724 173.1
[M+NH4]+ 318.144823 181.6
[M+K]+ 339.074158 171.4
[M+H-H2O]+ 283.108260 160.6
[M+HCOO]- 345.109201 190.2
[M+CH3COO]- 359.124851 205.7
[M+Na-2H]- 321.085666 169.9
[M]+ 300.11045142 167.4
[M]- 300.11154858 167.4
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.