CID 135504490

Endosidin 2

Structural Information

Molecular Formula
C15H12FIN2O3
SMILES
COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)F)I)O
InChI
InChI=1S/C15H12FIN2O3/c1-22-13-6-9(5-12(17)14(13)20)8-18-19-15(21)10-3-2-4-11(16)7-10/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKey
UIADDCURKKFTFW-QGMBQPNBSA-N
Compound name
3-fluoro-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

413.98767 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99495 187.3
[M+Na]+ 436.97689 191.0
[M+NH4]+ 432.02149 188.8
[M+K]+ 452.95083 187.4
[M-H]- 412.98039 183.6
[M+Na-2H]- 434.96234 180.4
[M]+ 413.98712 185.4
[M]- 413.98822 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.