CID 15702765

1-[[2-(benzoyloxy)ethoxy]methyl]-5-methyluracil

Structural Information

Molecular Formula
C15H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)COCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O5/c1-11-9-17(15(20)16-13(11)18)10-21-7-8-22-14(19)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,18,20)
InChIKey
BVILVUXOHRXCCK-UHFFFAOYSA-N
Compound name
2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

304.10593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11321 166.4
[M+Na]+ 327.09515 174.8
[M-H]- 303.09865 169.5
[M+NH4]+ 322.13975 177.7
[M+K]+ 343.06909 171.2
[M+H-H2O]+ 287.10319 157.0
[M+HCOO]- 349.10413 186.7
[M+CH3COO]- 363.11978 199.9
[M+Na-2H]- 325.08060 170.3
[M]+ 304.10538 170.3
[M]- 304.10648 170.3
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

patents stripe