CID 2060042

477329-41-2

Structural Information

Molecular Formula
C26H24N2O4S2
SMILES
COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI
InChI=1S/C26H24N2O4S2/c1-31-18-11-7-16(8-12-18)21(29)15-33-26-27-24-23(20-5-3-4-6-22(20)34-24)25(30)28(26)17-9-13-19(32-2)14-10-17/h7-14H,3-6,15H2,1-2H3
InChIKey
FSFGHZHVXNDJQG-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-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

492.11774 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.12502 210.9
[M+Na]+ 515.10696 226.4
[M+NH4]+ 510.15156 218.7
[M+K]+ 531.08090 215.6
[M-H]- 491.11046 217.0
[M+Na-2H]- 513.09241 218.3
[M]+ 492.11719 216.0
[M]- 492.11829 216.0
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.