CID 509570

1-(2-hydroxy-ethoxymethyl)-6-naphthalen-1-ylmethyl-5-propyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CCCC1=C(N(C(=O)NC1=O)COCCO)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H24N2O4/c1-2-6-18-19(23(14-27-12-11-24)21(26)22-20(18)25)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,24H,2,6,11-14H2,1H3,(H,22,25,26)
InChIKey
JKMIXQIINDLQJV-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.0
[M+Na]+ 391.16282 197.5
[M-H]- 367.16632 191.4
[M+NH4]+ 386.20742 198.4
[M+K]+ 407.13676 190.6
[M+H-H2O]+ 351.17086 178.9
[M+HCOO]- 413.17180 205.9
[M+CH3COO]- 427.18745 214.1
[M+Na-2H]- 389.14827 192.0
[M]+ 368.17305 192.6
[M]- 368.17415 192.6
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.