CID 453722

137897-78-0

Structural Information

Molecular Formula
C15H17N3O5S
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C(=O)N
InChI
InChI=1S/C15H17N3O5S/c1-9-13(21)17-15(22)18(8-23-6-5-19)14(9)24-11-4-2-3-10(7-11)12(16)20/h2-4,7,19H,5-6,8H2,1H3,(H2,16,20)(H,17,21,22)
InChIKey
BSKLJDBBPLYDEP-UHFFFAOYSA-N
Compound name
3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.0889 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09618 178.0
[M+Na]+ 374.07812 186.4
[M-H]- 350.08162 179.7
[M+NH4]+ 369.12272 187.0
[M+K]+ 390.05206 180.4
[M+H-H2O]+ 334.08616 169.3
[M+HCOO]- 396.08710 191.9
[M+CH3COO]- 410.10275 209.4
[M+Na-2H]- 372.06357 177.2
[M]+ 351.08835 181.4
[M]- 351.08945 181.4
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.