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]+ 319.16524 174.4
[M+Na]+ 341.14718 182.5
[M-H]- 317.15068 175.9
[M+NH4]+ 336.19178 184.9
[M+K]+ 357.12112 177.0
[M+H-H2O]+ 301.15522 165.1
[M+HCOO]- 363.15616 193.0
[M+CH3COO]- 377.17181 203.0
[M+Na-2H]- 339.13263 177.0
[M]+ 318.15741 177.6
[M]- 318.15851 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.