CID 146585168

Nedometinib

Structural Information

Molecular Formula
C17H16FIN4O3
SMILES
CN1C2=C(C=CC=N2)C(=C1NC3=C(C=C(C=C3)I)F)C(=O)NOCCO
InChI
InChI=1S/C17H16FIN4O3/c1-23-15-11(3-2-6-20-15)14(17(25)22-26-8-7-24)16(23)21-13-5-4-10(19)9-12(13)18/h2-6,9,21,24H,7-8H2,1H3,(H,22,25)
InChIKey
SENAOZROGSYRTD-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

470.02512 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.03240 199.7
[M+Na]+ 493.01434 203.0
[M+NH4]+ 488.05894 200.2
[M+K]+ 508.98828 201.8
[M-H]- 469.01784 194.8
[M+Na-2H]- 490.99979 191.4
[M]+ 470.02457 197.4
[M]- 470.02567 197.4
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