CID 495395

Nsc652938

Structural Information

Molecular Formula
C15H22N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)OC3CCCCO3
InChI
InChI=1S/C15H22N2O6/c1-9-7-17(15(20)16-14(9)19)12-6-10(11(8-18)22-12)23-13-4-2-3-5-21-13/h7,10-13,18H,2-6,8H2,1H3,(H,16,19,20)/t10-,11+,12+,13?/m1/s1
InChIKey
OXJNHJLFDYNDBW-VHGBLZLWSA-N
Compound name
1-[(2S,4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1478 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15508 173.9
[M+Na]+ 349.13702 179.8
[M-H]- 325.14052 179.5
[M+NH4]+ 344.18162 182.6
[M+K]+ 365.11096 178.4
[M+H-H2O]+ 309.14506 165.4
[M+HCOO]- 371.14600 186.7
[M+CH3COO]- 385.16165 201.5
[M+Na-2H]- 347.12247 173.2
[M]+ 326.14725 172.2
[M]- 326.14835 172.2
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.