CID 366729

Ku-2285

Structural Information

Molecular Formula
C8H10F2N4O4
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(C(=O)NCCO)(F)F
InChI
InChI=1S/C8H10F2N4O4/c9-8(10,6(16)11-2-4-15)5-13-3-1-12-7(13)14(17)18/h1,3,15H,2,4-5H2,(H,11,16)
InChIKey
VOXUFOPZGRTSJY-UHFFFAOYSA-N
Compound name
2,2-difluoro-N-(2-hydroxyethyl)-3-(2-nitroimidazol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

4
Patents

264.06702 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07430 149.3
[M+Na]+ 287.05624 155.4
[M-H]- 263.05974 146.8
[M+NH4]+ 282.10084 162.9
[M+K]+ 303.03018 149.6
[M+H-H2O]+ 247.06428 145.1
[M+HCOO]- 309.06522 169.0
[M+CH3COO]- 323.08087 187.0
[M+Na-2H]- 285.04169 156.3
[M]+ 264.06647 145.3
[M]- 264.06757 145.3
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