CID 466685

1-(2-anilinoethoxymethyl)-5-methyl-6-(2-pyridylsulfanyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CC1=C(N(C(=O)NC1=O)COCCNC2=CC=CC=C2)SC3=CC=CC=N3
InChI
InChI=1S/C19H20N4O3S/c1-14-17(24)22-19(25)23(18(14)27-16-9-5-6-10-21-16)13-26-12-11-20-15-7-3-2-4-8-15/h2-10,20H,11-13H2,1H3,(H,22,24,25)
InChIKey
NFPBCOAKLWUPKF-UHFFFAOYSA-N
Compound name
1-(2-anilinoethoxymethyl)-5-methyl-6-pyridin-2-ylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.132876 188.9
[M+Na]+ 407.114818 197.3
[M-H]- 383.118324 193.6
[M+NH4]+ 402.159423 195.8
[M+K]+ 423.088758 189.3
[M+H-H2O]+ 367.122860 177.9
[M+HCOO]- 429.123801 204.3
[M+CH3COO]- 443.139451 216.8
[M+Na-2H]- 405.100266 191.8
[M]+ 384.12505142 192.2
[M]- 384.12614858 192.2
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.