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]+ 301.11828 167.4
[M+Na]+ 323.10022 174.5
[M-H]- 299.10372 172.0
[M+NH4]+ 318.14482 180.8
[M+K]+ 339.07416 169.8
[M+H-H2O]+ 283.10826 159.4
[M+HCOO]- 345.10920 191.3
[M+CH3COO]- 359.12485 203.8
[M+Na-2H]- 321.08567 171.5
[M]+ 300.11045 167.8
[M]- 300.11155 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