CID 11175743

2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-(methoxymethyl)-6-[(1-amino-2-naphthalenyl)thio]-

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COC)SC2=C(C3=CC=CC=C3C=C2)N
InChI
InChI=1S/C18H19N3O3S/c1-3-12-16(22)20-18(23)21(10-24-2)17(12)25-14-9-8-11-6-4-5-7-13(11)15(14)19/h4-9H,3,10,19H2,1-2H3,(H,20,22,23)
InChIKey
ZQTKDVZGYJGEKU-UHFFFAOYSA-N
Compound name
6-(1-aminonaphthalen-2-yl)sulfanyl-5-ethyl-1-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.11472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 182.7
[M+Na]+ 380.10394 193.2
[M-H]- 356.10744 186.7
[M+NH4]+ 375.14854 193.8
[M+K]+ 396.07788 185.8
[M+H-H2O]+ 340.11198 173.8
[M+HCOO]- 402.11292 197.4
[M+CH3COO]- 416.12857 214.9
[M+Na-2H]- 378.08939 184.4
[M]+ 357.11417 186.9
[M]- 357.11527 186.9
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.