CID 2060098

476484-83-0

Structural Information

Molecular Formula
C28H28N4O5S2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H28N4O5S2/c1-16(33)29-17-8-13-22(37-3)21(14-17)30-24(34)15-38-28-31-26-25(20-6-4-5-7-23(20)39-26)27(35)32(28)18-9-11-19(36-2)12-10-18/h8-14H,4-7,15H2,1-3H3,(H,29,33)(H,30,34)
InChIKey
UYCNWGYILHWZEU-UHFFFAOYSA-N
Compound name
N-(5-acetamido-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1501 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15738 226.7
[M+Na]+ 587.13932 238.6
[M+NH4]+ 582.18392 232.1
[M+K]+ 603.11326 229.9
[M-H]- 563.14282 232.3
[M+Na-2H]- 585.12477 232.7
[M]+ 564.14955 230.7
[M]- 564.15065 230.7
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.