CID 489900

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

Structural Information

Molecular Formula
C10H12BrN5O4
SMILES
C1=C(N=NN1COCCO)CN2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C10H12BrN5O4/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
AAVCCLNHHPPECR-UHFFFAOYSA-N
Compound name
5-bromo-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

345.00726 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01454 160.0
[M+Na]+ 367.99648 173.3
[M-H]- 343.99998 161.6
[M+NH4]+ 363.04108 171.4
[M+K]+ 383.97042 160.9
[M+H-H2O]+ 328.00452 157.3
[M+HCOO]- 390.00546 175.8
[M+CH3COO]- 404.02111 200.2
[M+Na-2H]- 365.98193 165.1
[M]+ 345.00671 181.2
[M]- 345.00781 181.2
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.