CID 11774928

2,4(1h,3h)-pyrimidinedione, 1-[(4-fluorobenzyloxy)methyl]-5-ethyl-6-(1-naphthalenylthio)-

Structural Information

Molecular Formula
C24H21FN2O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=C(C=C2)F)SC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H21FN2O3S/c1-2-19-22(28)26-24(29)27(15-30-14-16-10-12-18(25)13-11-16)23(19)31-21-9-5-7-17-6-3-4-8-20(17)21/h3-13H,2,14-15H2,1H3,(H,26,28,29)
InChIKey
PZYOQJKIQDLKIV-UHFFFAOYSA-N
Compound name
5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-6-naphthalen-1-ylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.1257 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13298 203.8
[M+Na]+ 459.11492 213.7
[M-H]- 435.11842 209.3
[M+NH4]+ 454.15952 211.3
[M+K]+ 475.08886 204.6
[M+H-H2O]+ 419.12296 191.8
[M+HCOO]- 481.12390 216.2
[M+CH3COO]- 495.13955 212.0
[M+Na-2H]- 457.10037 204.4
[M]+ 436.12515 207.6
[M]- 436.12625 207.6
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.