CID 5353430

Grk2 inhibitor

Structural Information

Molecular Formula
C12H9NO6
SMILES
COC(=O)C1=CC=C(O1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO6/c1-17-12(14)10-6-4-8(18-10)2-3-9-5-7-11(19-9)13(15)16/h2-7H,1H3/b3-2+
InChIKey
YDJPHSNZGRVPCK-NSCUHMNNSA-N
Compound name
methyl 5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

30
Patents

263.043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.050276 157.1
[M+Na]+ 286.032218 165.3
[M-H]- 262.035724 166.3
[M+NH4]+ 281.076823 173.5
[M+K]+ 302.006158 161.7
[M+H-H2O]+ 246.040260 156.1
[M+HCOO]- 308.041201 184.1
[M+CH3COO]- 322.056851 186.0
[M+Na-2H]- 284.017666 163.2
[M]+ 263.04245142 162.2
[M]- 263.04354858 162.2
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

No patent data available for this compound.