CID 2024210

618879-75-7

Structural Information

Molecular Formula
C23H22N2OS2
SMILES
CCN1C(=O)C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)SC5=C2CCCC5
InChI
InChI=1S/C23H22N2OS2/c1-2-25-22(26)20-18-12-5-6-13-19(18)28-21(20)24-23(25)27-14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,7-11H,2,5-6,12-14H2,1H3
InChIKey
SMDOBGJOXLQANQ-UHFFFAOYSA-N
Compound name
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-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

406.11737 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12465 189.9
[M+Na]+ 429.10659 206.8
[M+NH4]+ 424.15119 200.5
[M+K]+ 445.08053 194.0
[M-H]- 405.11009 196.3
[M+Na-2H]- 427.09204 197.1
[M]+ 406.11682 195.5
[M]- 406.11792 195.5
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.