CID 379360

Nsc663906

Structural Information

Molecular Formula
C8H12N4O3
SMILES
C1=CN(C(=O)N=C1N)CC(=O)NCCO
InChI
InChI=1S/C8H12N4O3/c9-6-1-3-12(8(15)11-6)5-7(14)10-2-4-13/h1,3,13H,2,4-5H2,(H,10,14)(H2,9,11,15)
InChIKey
KKTYHHKRRBYVSB-UHFFFAOYSA-N
Compound name
2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09094 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 144.4
[M+Na]+ 235.08016 152.2
[M-H]- 211.08366 144.1
[M+NH4]+ 230.12476 159.1
[M+K]+ 251.05410 149.7
[M+H-H2O]+ 195.08820 136.6
[M+HCOO]- 257.08914 166.7
[M+CH3COO]- 271.10479 187.8
[M+Na-2H]- 233.06561 149.8
[M]+ 212.09039 143.5
[M]- 212.09149 143.5
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.