CID 16666708

Azd8330

Structural Information

Molecular Formula
C16H17FIN3O4
SMILES
CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO
InChI
InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)
InChIKey
RWEVIPRMPFNTLO-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

4927
Patents

461.02478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.03206 194.5
[M+Na]+ 484.01400 195.6
[M-H]- 460.01750 191.0
[M+NH4]+ 479.05860 200.6
[M+K]+ 499.98794 197.4
[M+H-H2O]+ 444.02204 180.9
[M+HCOO]- 506.02298 210.6
[M+CH3COO]- 520.03863 224.8
[M+Na-2H]- 481.99945 183.0
[M]+ 461.02423 193.3
[M]- 461.02533 193.3
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

patents stripe