CID 135497262

2-[[5-ethyl-6-(1-naphthylmethyl)-4-oxo-1h-pyrimidin-2-yl]sulfanyl]-n-methyl-acetamide

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
CCC1=C(N=C(NC1=O)SCC(=O)NC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H21N3O2S/c1-3-15-17(22-20(23-19(15)25)26-12-18(24)21-2)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKey
MZOMEQJIWWOJLI-UHFFFAOYSA-N
Compound name
2-[[5-ethyl-4-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.13544 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 186.1
[M+Na]+ 390.12466 194.1
[M-H]- 366.12816 189.7
[M+NH4]+ 385.16926 196.6
[M+K]+ 406.09860 186.4
[M+H-H2O]+ 350.13270 176.9
[M+HCOO]- 412.13364 199.8
[M+CH3COO]- 426.14929 216.6
[M+Na-2H]- 388.11011 188.3
[M]+ 367.13489 189.0
[M]- 367.13599 189.0
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.