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]+ 295.12886 162.4
[M+Na]+ 317.11080 172.7
[M-H]- 293.11430 170.1
[M+NH4]+ 312.15540 176.6
[M+K]+ 333.08474 172.8
[M+H-H2O]+ 277.11884 155.5
[M+HCOO]- 339.11978 177.4
[M+CH3COO]- 353.13543 174.6
[M+Na-2H]- 315.09625 167.9
[M]+ 294.12103 164.1
[M]- 294.12213 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.