CID 460912

Hept 6ph deriv.

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-10-12(11-5-3-2-4-6-11)16(9-20-8-7-17)14(19)15-13(10)18/h2-6,17H,7-9H2,1H3,(H,15,18,19)
InChIKey
LKKZZLRVJNOMBC-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.111 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 161.0
[M+Na]+ 299.10022 170.6
[M-H]- 275.10372 163.1
[M+NH4]+ 294.14482 173.3
[M+K]+ 315.07416 165.6
[M+H-H2O]+ 259.10826 152.4
[M+HCOO]- 321.10920 180.7
[M+CH3COO]- 335.12485 194.1
[M+Na-2H]- 297.08567 165.2
[M]+ 276.11045 163.2
[M]- 276.11155 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.