CID 495778

Nsc667856

Structural Information

Molecular Formula
C11H15N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC(=NOC)[C@H](O2)CO
InChI
InChI=1S/C11H15N3O5/c1-6-4-14(11(17)12-10(6)16)9-3-7(13-18-2)8(5-15)19-9/h4,8-9,15H,3,5H2,1-2H3,(H,12,16,17)/t8-,9-/m1/s1
InChIKey
IICNHIFXKAMYHY-RKDXNWHRSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.10117 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 156.8
[M+Na]+ 292.09039 166.2
[M-H]- 268.09389 161.2
[M+NH4]+ 287.13499 170.5
[M+K]+ 308.06433 164.3
[M+H-H2O]+ 252.09843 149.1
[M+HCOO]- 314.09937 177.5
[M+CH3COO]- 328.11502 195.6
[M+Na-2H]- 290.07584 159.2
[M]+ 269.10062 158.8
[M]- 269.10172 158.8
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.