CID 495741

Nsc667479

Structural Information

Molecular Formula
C16H24N2O6
SMILES
C1CCC(CC1)COC2=CN(C(=O)NC2=O)[C@@H]3C[C@H]([C@@H](O3)CO)O
InChI
InChI=1S/C16H24N2O6/c19-8-13-11(20)6-14(24-13)18-7-12(15(21)17-16(18)22)23-9-10-4-2-1-3-5-10/h7,10-11,13-14,19-20H,1-6,8-9H2,(H,17,21,22)/t11-,13+,14+/m1/s1
InChIKey
VKYFOMLGBXMJCM-XBFCOCLRSA-N
Compound name
5-(cyclohexylmethoxy)-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17070 177.4
[M+Na]+ 363.15264 182.2
[M-H]- 339.15614 180.8
[M+NH4]+ 358.19724 186.2
[M+K]+ 379.12658 179.0
[M+H-H2O]+ 323.16068 168.8
[M+HCOO]- 385.16162 189.3
[M+CH3COO]- 399.17727 202.0
[M+Na-2H]- 361.13809 175.4
[M]+ 340.16287 173.7
[M]- 340.16397 173.7
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.