CID 1852764

477313-42-1

Structural Information

Molecular Formula
C26H23Cl2N3O2S2
SMILES
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl)C
InChI
InChI=1S/C26H23Cl2N3O2S2/c1-14-11-15(2)23(19(28)12-14)29-21(32)13-34-26-30-24-22(18-5-3-4-6-20(18)35-24)25(33)31(26)17-9-7-16(27)8-10-17/h7-12H,3-6,13H2,1-2H3,(H,29,32)
InChIKey
OGWQKIJHZYIMDW-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(4-chlorophenyl)-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

543.06085 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.06813 224.3
[M+Na]+ 566.05007 241.4
[M+NH4]+ 561.09467 232.9
[M+K]+ 582.02401 228.4
[M-H]- 542.05357 231.3
[M+Na-2H]- 564.03552 231.3
[M]+ 543.06030 230.5
[M]- 543.06140 230.5
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.