CID 11548630

874101-00-5

Structural Information

Molecular Formula
C20H19F3IN3O5
SMILES
C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO
InChI
InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
InChIKey
FIMYFEGKMOCQKT-UHFFFAOYSA-N
Compound name
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

1768
Patents

565.03217 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.03945 219.7
[M+Na]+ 588.02139 218.4
[M-H]- 564.02489 216.0
[M+NH4]+ 583.06599 219.7
[M+K]+ 603.99533 220.2
[M+H-H2O]+ 548.02943 202.6
[M+HCOO]- 610.03037 228.8
[M+CH3COO]- 624.04602 242.1
[M+Na-2H]- 586.00684 205.3
[M]+ 565.03162 213.7
[M]- 565.03272 213.7
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.