CID 462760

2-hydroxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium

Structural Information

Molecular Formula
C12H22N3O4
SMILES
CC1=CN(C(=O)NC1=O)COCC[N+](C)(C)CCO
InChI
InChI=1S/C12H21N3O4/c1-10-8-14(12(18)13-11(10)17)9-19-7-5-15(2,3)4-6-16/h8,16H,4-7,9H2,1-3H3/p+1
InChIKey
URAOIFATNZDGIZ-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.16104 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16832 159.6
[M+Na]+ 295.15026 167.6
[M-H]- 271.15376 159.9
[M+NH4]+ 290.19486 172.8
[M+K]+ 311.12420 159.3
[M+H-H2O]+ 255.15830 155.1
[M+HCOO]- 317.15924 179.2
[M+CH3COO]- 331.17489 191.4
[M+Na-2H]- 293.13571 167.8
[M]+ 272.16049 162.0
[M]- 272.16159 162.0
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.