CID 135509488

Nsc97904

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C/C(=N\N=C(\C1=C(C=C(C=C1)O)O)/C)/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/b17-9+,18-10+
InChIKey
FKKDSIYPIRBAAP-BEQMOXJMSA-N
Compound name
4-[(E)-N-[(E)-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]+ 301.11828 169.9
[M+Na]+ 323.10022 180.7
[M+NH4]+ 318.14482 175.3
[M+K]+ 339.07416 176.3
[M-H]- 299.10372 172.6
[M+Na-2H]- 321.08567 175.5
[M]+ 300.11045 171.8
[M]- 300.11155 171.8
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.