CID 11270455

6-[(1-amino-2-naphthyl)sulfanyl]-1-(benzyloxymethyl)-5-ethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H23N3O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=C(C4=CC=CC=C4C=C3)N
InChI
InChI=1S/C24H23N3O3S/c1-2-18-22(28)26-24(29)27(15-30-14-16-8-4-3-5-9-16)23(18)31-20-13-12-17-10-6-7-11-19(17)21(20)25/h3-13H,2,14-15,25H2,1H3,(H,26,28,29)
InChIKey
GXSFUJMARXZAJY-UHFFFAOYSA-N
Compound name
6-(1-aminonaphthalen-2-yl)sulfanyl-5-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.14603 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15331 204.0
[M+Na]+ 456.13525 213.0
[M-H]- 432.13875 210.4
[M+NH4]+ 451.17985 211.2
[M+K]+ 472.10919 204.1
[M+H-H2O]+ 416.14329 193.1
[M+HCOO]- 478.14423 218.0
[M+CH3COO]- 492.15988 212.1
[M+Na-2H]- 454.12070 205.4
[M]+ 433.14548 207.3
[M]- 433.14658 207.3
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.