CID 1611387

477330-87-3

Structural Information

Molecular Formula
C24H20Cl2N2O2S2
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=C(C=C(C=C4)Cl)Cl)SC5=C3CCCC5
InChI
InChI=1S/C24H20Cl2N2O2S2/c1-30-17-10-8-16(9-11-17)28-23(29)21-18-4-2-3-5-20(18)32-22(21)27-24(28)31-13-14-6-7-15(25)12-19(14)26/h6-12H,2-5,13H2,1H3
InChIKey
AIXBBPATUMOEHG-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.03433 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.04161 213.1
[M+Na]+ 525.02355 232.0
[M+NH4]+ 520.06815 223.0
[M+K]+ 540.99749 218.1
[M-H]- 501.02705 220.5
[M+Na-2H]- 523.00900 221.2
[M]+ 502.03378 219.8
[M]- 502.03488 219.8
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.