CID 11165391

1-(cyclopropylmethoxymethyl)-5-isopropyl-6-(1-naphthylsulfanyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H24N2O3S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC2CC2)SC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H24N2O3S/c1-14(2)19-20(25)23-22(26)24(13-27-12-15-10-11-15)21(19)28-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,14-15H,10-13H2,1-2H3,(H,23,25,26)
InChIKey
BGNSEMIIOCUZPE-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethoxymethyl)-6-naphthalen-1-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.15076 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15804 192.9
[M+Na]+ 419.13998 202.7
[M-H]- 395.14348 199.7
[M+NH4]+ 414.18458 197.9
[M+K]+ 435.11392 194.6
[M+H-H2O]+ 379.14802 183.6
[M+HCOO]- 441.14896 205.8
[M+CH3COO]- 455.16461 201.4
[M+Na-2H]- 417.12543 192.8
[M]+ 396.15021 199.6
[M]- 396.15131 199.6
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

No patent data available for this compound.