CID 2734276

124061-43-4

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC(=C(C=C1O)C=NCCN=CC2=C(C=CC(=C2)O)O)O
InChI
InChI=1S/C16H16N2O4/c19-13-1-3-15(21)11(7-13)9-17-5-6-18-10-12-8-14(20)2-4-16(12)22/h1-4,7-10,19-22H,5-6H2
InChIKey
KQVXRKRRCLZZKX-UHFFFAOYSA-N
Compound name
2-[2-[(2,5-dihydroxyphenyl)methylideneamino]ethyliminomethyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 170.0
[M+Na]+ 323.10022 181.5
[M+NH4]+ 318.14482 175.6
[M+K]+ 339.07416 175.4
[M-H]- 299.10372 173.1
[M+Na-2H]- 321.08567 176.2
[M]+ 300.11045 172.2
[M]- 300.11155 172.2
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

patents stripe