CID 67773619

Fosciclopirox

Structural Information

Molecular Formula
C13H20NO6P
SMILES
CC1=CC(=O)N(C(=C1)C2CCCCC2)OCOP(=O)(O)O
InChI
InChI=1S/C13H20NO6P/c1-10-7-12(11-5-3-2-4-6-11)14(13(15)8-10)19-9-20-21(16,17)18/h7-8,11H,2-6,9H2,1H3,(H2,16,17,18)
InChIKey
NTKBXPWLNROYPE-UHFFFAOYSA-N
Compound name
(2-cyclohexyl-4-methyl-6-oxopyridin-1-yl)oxymethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

61
Patents

317.1028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11008 169.7
[M+Na]+ 340.09202 174.8
[M-H]- 316.09552 170.8
[M+NH4]+ 335.13662 181.5
[M+K]+ 356.06596 173.1
[M+H-H2O]+ 300.10006 159.7
[M+HCOO]- 362.10100 190.6
[M+CH3COO]- 376.11665 200.0
[M+Na-2H]- 338.07747 170.1
[M]+ 317.10225 169.9
[M]- 317.10335 169.9
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