CID 483496

Chembl550916

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3CC3)C(C)C)C
InChI
InChI=1S/C19H24N2O2S/c1-11(2)16-17(22)20-19(23)21(10-14-5-6-14)18(16)24-15-8-12(3)7-13(4)9-15/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,22,23)
InChIKey
ANVDAXBIMHWBRJ-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

344.15585 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16313 178.9
[M+Na]+ 367.14507 189.8
[M-H]- 343.14857 185.9
[M+NH4]+ 362.18967 185.8
[M+K]+ 383.11901 181.9
[M+H-H2O]+ 327.15311 170.4
[M+HCOO]- 389.15405 192.9
[M+CH3COO]- 403.16970 214.5
[M+Na-2H]- 365.13052 176.3
[M]+ 344.15530 185.1
[M]- 344.15640 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe