CID 509571

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

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCCO)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H24N2O4/c1-14(2)19-18(23(13-27-11-10-24)21(26)22-20(19)25)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,24H,10-13H2,1-2H3,(H,22,25,26)
InChIKey
ZLTXBTKDPJXTSI-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 188.8
[M+Na]+ 391.16282 196.9
[M-H]- 367.16632 191.3
[M+NH4]+ 386.20742 198.2
[M+K]+ 407.13676 190.7
[M+H-H2O]+ 351.17086 178.9
[M+HCOO]- 413.17180 204.7
[M+CH3COO]- 427.18745 215.1
[M+Na-2H]- 389.14827 190.7
[M]+ 368.17305 191.8
[M]- 368.17415 191.8
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.