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

11
Patents

300.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 167.4
[M+Na]+ 323.100218 174.5
[M-H]- 299.103724 172.0
[M+NH4]+ 318.144823 180.8
[M+K]+ 339.074158 169.8
[M+H-H2O]+ 283.108260 159.4
[M+HCOO]- 345.109201 191.3
[M+CH3COO]- 359.124851 203.8
[M+Na-2H]- 321.085666 171.5
[M]+ 300.11045142 167.8
[M]- 300.11154858 167.8
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

patents stripe