CID 476788

Schembl9626154

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C12H17N3O4/c1-2-10(17)13-9-5-6-15(12(18)14-9)11-4-3-8(7-16)19-11/h5-6,8,11,16H,2-4,7H2,1H3,(H,13,14,17,18)/t8-,11+/m0/s1
InChIKey
QJPQFZQLJJOHRH-GZMMTYOYSA-N
Compound name
N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

267.12192 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 159.5
[M+Na]+ 290.11114 166.3
[M-H]- 266.11464 163.1
[M+NH4]+ 285.15574 172.7
[M+K]+ 306.08508 164.7
[M+H-H2O]+ 250.11918 151.3
[M+HCOO]- 312.12012 178.6
[M+CH3COO]- 326.13577 195.2
[M+Na-2H]- 288.09659 161.6
[M]+ 267.12137 159.6
[M]- 267.12247 159.6
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.