CID 395077

Nsc699339

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCCCO)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O4/c1-2-14-15(11-13-7-4-3-5-8-13)19(12-23-10-6-9-20)17(22)18-16(14)21/h3-5,7-8,20H,2,6,9-12H2,1H3,(H,18,21,22)
InChIKey
RFUZVWVYELQPKA-UHFFFAOYSA-N
Compound name
6-benzyl-5-ethyl-1-(3-hydroxypropoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.165236 174.4
[M+Na]+ 341.147178 182.5
[M-H]- 317.150684 175.9
[M+NH4]+ 336.191783 184.9
[M+K]+ 357.121118 177.0
[M+H-H2O]+ 301.155220 165.1
[M+HCOO]- 363.156161 193.0
[M+CH3COO]- 377.171811 203.0
[M+Na-2H]- 339.132626 177.0
[M]+ 318.15741142 177.6
[M]- 318.15850858 177.6
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.