CID 454544

1-amyloetome-6phs t

Structural Information

Molecular Formula
C19H26N2O4S
SMILES
CCCCCOCCOCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC=C2
InChI
InChI=1S/C19H26N2O4S/c1-3-4-8-11-24-12-13-25-14-21-18(15(2)17(22)20-19(21)23)26-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,20,22,23)
InChIKey
AGUPYPATWNLBOM-UHFFFAOYSA-N
Compound name
5-methyl-1-(2-pentoxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.16132 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16860 188.5
[M+Na]+ 401.15054 196.1
[M-H]- 377.15404 190.9
[M+NH4]+ 396.19514 197.8
[M+K]+ 417.12448 189.8
[M+H-H2O]+ 361.15858 178.8
[M+HCOO]- 423.15952 203.0
[M+CH3COO]- 437.17517 214.8
[M+Na-2H]- 399.13599 188.0
[M]+ 378.16077 196.2
[M]- 378.16187 196.2
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.