CID 475316

Schembl7219945

Structural Information

Molecular Formula
C22H23N3O5S
SMILES
CC1=CC(=CC=C1)SC2=C(C(=O)NC(=O)N2COCCOC(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C22H23N3O5S/c1-15-7-6-10-18(13-15)31-20-16(2)19(26)24-21(27)25(20)14-29-11-12-30-22(28)23-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,23,28)(H,24,26,27)
InChIKey
BVIQSQLRSYCDOX-UHFFFAOYSA-N
Compound name
2-[[5-methyl-6-(3-methylphenyl)sulfanyl-2,4-dioxopyrimidin-1-yl]methoxy]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

441.13583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.14311 203.7
[M+Na]+ 464.12505 210.8
[M-H]- 440.12855 209.7
[M+NH4]+ 459.16965 209.5
[M+K]+ 480.09899 204.3
[M+H-H2O]+ 424.13309 192.6
[M+HCOO]- 486.13403 218.8
[M+CH3COO]- 500.14968 227.4
[M+Na-2H]- 462.11050 203.7
[M]+ 441.13528 209.3
[M]- 441.13638 209.3
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

patents stripe