CID 489899

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

Structural Information

Molecular Formula
C10H12ClN5O4
SMILES
C1=C(N=NN1COCCO)CN2C=C(C(=O)NC2=O)Cl
InChI
InChI=1S/C10H12ClN5O4/c11-8-5-15(10(19)12-9(8)18)3-7-4-16(14-13-7)6-20-2-1-17/h4-5,17H,1-3,6H2,(H,12,18,19)
InChIKey
XBVWJALMBIPOFR-UHFFFAOYSA-N
Compound name
5-chloro-1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05777 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06505 161.9
[M+Na]+ 324.04699 173.3
[M-H]- 300.05049 160.5
[M+NH4]+ 319.09159 171.7
[M+K]+ 340.02093 167.5
[M+H-H2O]+ 284.05503 152.4
[M+HCOO]- 346.05597 174.8
[M+CH3COO]- 360.07162 194.7
[M+Na-2H]- 322.03244 164.8
[M]+ 301.05722 166.4
[M]- 301.05832 166.4
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.