CID 495396

Nsc652939

Structural Information

Molecular Formula
C14H22N2O6
SMILES
CCOC(C)O[C@@H]1C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C14H22N2O6/c1-4-20-9(3)21-10-5-12(22-11(10)7-17)16-6-8(2)13(18)15-14(16)19/h6,9-12,17H,4-5,7H2,1-3H3,(H,15,18,19)/t9?,10-,11+,12+/m1/s1
InChIKey
YIACVQYMUNRFIY-WSWARRKISA-N
Compound name
1-[(2S,4R,5S)-4-(1-ethoxyethoxy)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1478 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15508 169.6
[M+Na]+ 337.13702 177.3
[M-H]- 313.14052 172.2
[M+NH4]+ 332.18162 180.9
[M+K]+ 353.11096 175.8
[M+H-H2O]+ 297.14506 162.0
[M+HCOO]- 359.14600 185.7
[M+CH3COO]- 373.16165 201.6
[M+Na-2H]- 335.12247 168.6
[M]+ 314.14725 173.2
[M]- 314.14835 173.2
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.