CID 46926364

1009333-44-1

Structural Information

Molecular Formula
C17H14F2IN3O4
SMILES
C[C@@H](CONC(=O)C1=C(C2=CN=CC(=C2O1)F)NC3=C(C=C(C=C3)I)F)O
InChI
InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1
InChIKey
ZEZHPEIEEFTILY-QMMMGPOBSA-N
Compound name
7-fluoro-3-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]furo[3,2-c]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

488.9997 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.00698 197.4
[M+Na]+ 511.98892 198.9
[M-H]- 487.99242 194.5
[M+NH4]+ 507.03352 203.6
[M+K]+ 527.96286 201.5
[M+H-H2O]+ 471.99696 183.6
[M+HCOO]- 533.99790 212.2
[M+CH3COO]- 548.01355 227.9
[M+Na-2H]- 509.97437 187.2
[M]+ 488.99915 197.0
[M]- 489.00025 197.0
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