CID 452908

6phco-1-(2ohetome)t

Structural Information

Molecular Formula
C15H16N2O5
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O5/c1-10-12(13(19)11-5-3-2-4-6-11)17(9-22-8-7-18)15(21)16-14(10)20/h2-6,18H,7-9H2,1H3,(H,16,20,21)
InChIKey
MNXHOTLNIMLCRX-UHFFFAOYSA-N
Compound name
6-benzoyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.10593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11321 166.6
[M+Na]+ 327.09515 175.5
[M-H]- 303.09865 168.7
[M+NH4]+ 322.13975 177.5
[M+K]+ 343.06909 171.0
[M+H-H2O]+ 287.10319 157.8
[M+HCOO]- 349.10413 185.4
[M+CH3COO]- 363.11978 199.5
[M+Na-2H]- 325.08060 169.3
[M]+ 304.10538 169.3
[M]- 304.10648 169.3
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.