CID 453101

1-meoetome-6phs t

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
CC1=C(N(C(=O)NC1=O)COCCOC)SC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O4S/c1-11-13(18)16-15(19)17(10-21-9-8-20-2)14(11)22-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,16,18,19)
InChIKey
IDVZDMLDMKWDKU-UHFFFAOYSA-N
Compound name
1-(2-methoxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

322.09872 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10600 171.4
[M+Na]+ 345.08794 180.9
[M-H]- 321.09144 174.7
[M+NH4]+ 340.13254 183.2
[M+K]+ 361.06188 175.5
[M+H-H2O]+ 305.09598 162.6
[M+HCOO]- 367.09692 187.3
[M+CH3COO]- 381.11257 203.0
[M+Na-2H]- 343.07339 172.9
[M]+ 322.09817 177.8
[M]- 322.09927 177.8
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.