CID 453635

5',4'-iprdiod4t

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=CC3(O2)COC(OC3)(C)C
InChI
InChI=1S/C14H18N2O5/c1-9-6-16(12(18)15-11(9)17)10-4-5-14(21-10)7-19-13(2,3)20-8-14/h4-6,10H,7-8H2,1-3H3,(H,15,17,18)/t10-/m1/s1
InChIKey
KZFUZAGPVJMIFR-SNVBAGLBSA-N
Compound name
1-[(2R)-8,8-dimethyl-1,7,9-trioxaspiro[4.5]dec-3-en-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 162.4
[M+Na]+ 317.110798 172.7
[M-H]- 293.114304 170.1
[M+NH4]+ 312.155403 176.6
[M+K]+ 333.084738 172.8
[M+H-H2O]+ 277.118840 155.5
[M+HCOO]- 339.119781 177.4
[M+CH3COO]- 353.135431 174.6
[M+Na-2H]- 315.096246 167.9
[M]+ 294.12103142 164.1
[M]- 294.12212858 164.1
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.