CID 453732

I-hepu-dm

Structural Information

Molecular Formula
C18H24N2O4S
SMILES
CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2COCCO)C(C)C)C
InChI
InChI=1S/C18H24N2O4S/c1-11(2)15-16(22)19-18(23)20(10-24-6-5-21)17(15)25-14-8-12(3)7-13(4)9-14/h7-9,11,21H,5-6,10H2,1-4H3,(H,19,22,23)
InChIKey
DLDYWYXMJCSMIQ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

364.1457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15298 184.1
[M+Na]+ 387.13492 193.0
[M-H]- 363.13842 186.2
[M+NH4]+ 382.17952 193.8
[M+K]+ 403.10886 186.9
[M+H-H2O]+ 347.14296 175.7
[M+HCOO]- 409.14390 196.3
[M+CH3COO]- 423.15955 213.1
[M+Na-2H]- 385.12037 181.3
[M]+ 364.14515 190.0
[M]- 364.14625 190.0
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

patents stripe