CID 489897

1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=CN(C(=O)NC1=O)CC2=CN(N=N2)COCCO
InChI
InChI=1S/C11H15N5O4/c1-8-4-15(11(19)12-10(8)18)5-9-6-16(14-13-9)7-20-3-2-17/h4,6,17H,2-3,5,7H2,1H3,(H,12,18,19)
InChIKey
PRUMFDOPLFACQH-UHFFFAOYSA-N
Compound name
1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 162.4
[M+Na]+ 304.10162 172.9
[M-H]- 280.10512 161.0
[M+NH4]+ 299.14622 172.2
[M+K]+ 320.07556 168.2
[M+H-H2O]+ 264.10966 152.7
[M+HCOO]- 326.11060 179.7
[M+CH3COO]- 340.12625 193.9
[M+Na-2H]- 302.08707 165.2
[M]+ 281.11185 165.6
[M]- 281.11295 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.