CID 452909

131194-13-3

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)C(C2=CC=CC=C2)O
InChI
InChI=1S/C15H18N2O5/c1-10-12(13(19)11-5-3-2-4-6-11)17(9-22-8-7-18)15(21)16-14(10)20/h2-6,13,18-19H,7-9H2,1H3,(H,16,20,21)
InChIKey
OXQRGDXDFCTKTM-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-[hydroxy(phenyl)methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.12158 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 168.4
[M+Na]+ 329.11080 176.5
[M-H]- 305.11430 169.1
[M+NH4]+ 324.15540 178.6
[M+K]+ 345.08474 171.9
[M+H-H2O]+ 289.11884 159.8
[M+HCOO]- 351.11978 185.5
[M+CH3COO]- 365.13543 198.0
[M+Na-2H]- 327.09625 170.6
[M]+ 306.12103 170.0
[M]- 306.12213 170.0
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.