CID 65636

Fluprofylline

Structural Information

Molecular Formula
C22H26FN5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H26FN5O3/c1-25-20-18(21(30)26(2)22(25)31)28(14-24-20)11-3-10-27-12-8-16(9-13-27)19(29)15-4-6-17(23)7-5-15/h4-7,14,16H,3,8-13H2,1-2H3
InChIKey
IPSYNNODBHPDFB-UHFFFAOYSA-N
Compound name
7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

427.20197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20925 205.1
[M+Na]+ 450.19119 218.7
[M+NH4]+ 445.23579 208.5
[M+K]+ 466.16513 214.0
[M-H]- 426.19469 206.0
[M+Na-2H]- 448.17664 209.3
[M]+ 427.20142 207.0
[M]- 427.20252 207.0
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