CID 11211107

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

Structural Information

Molecular Formula
C18H17ClN2O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COC)SC2=C(C3=CC=CC=C3C=C2)Cl
InChI
InChI=1S/C18H17ClN2O3S/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,3,10H2,1-2H3,(H,20,22,23)
InChIKey
DHAVREMPXXMRKR-UHFFFAOYSA-N
Compound name
6-(1-chloronaphthalen-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

376.06485 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07213 183.0
[M+Na]+ 399.05407 195.1
[M-H]- 375.05757 187.6
[M+NH4]+ 394.09867 194.9
[M+K]+ 415.02801 187.0
[M+H-H2O]+ 359.06211 175.1
[M+HCOO]- 421.06305 192.9
[M+CH3COO]- 435.07870 193.5
[M+Na-2H]- 397.03952 184.6
[M]+ 376.06430 190.9
[M]- 376.06540 190.9
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.