CID 475333

Tert-butyl 2-[(5-methyl-2,4-dioxo-6-phenylsulfanyl-pyrimidin-1-yl)methoxy]ethyl carbonate

Structural Information

Molecular Formula
C19H24N2O6S
SMILES
CC1=C(N(C(=O)NC1=O)COCCOC(=O)OC(C)(C)C)SC2=CC=CC=C2
InChI
InChI=1S/C19H24N2O6S/c1-13-15(22)20-17(23)21(16(13)28-14-8-6-5-7-9-14)12-25-10-11-26-18(24)27-19(2,3)4/h5-9H,10-12H2,1-4H3,(H,20,22,23)
InChIKey
AQOBYZZGGBNZMB-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(5-methyl-2,4-dioxo-6-phenylsulfanylpyrimidin-1-yl)methoxy]ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14278 195.3
[M+Na]+ 431.12472 202.7
[M-H]- 407.12822 198.3
[M+NH4]+ 426.16932 203.3
[M+K]+ 447.09866 198.5
[M+H-H2O]+ 391.13276 186.2
[M+HCOO]- 453.13370 207.9
[M+CH3COO]- 467.14935 217.8
[M+Na-2H]- 429.11017 195.4
[M]+ 408.13495 203.9
[M]- 408.13605 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.