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]+ 385.13288 188.9
[M+Na]+ 407.11482 197.3
[M-H]- 383.11832 193.6
[M+NH4]+ 402.15942 195.8
[M+K]+ 423.08876 189.3
[M+H-H2O]+ 367.12286 177.9
[M+HCOO]- 429.12380 204.3
[M+CH3COO]- 443.13945 216.8
[M+Na-2H]- 405.10027 191.8
[M]+ 384.12505 192.2
[M]- 384.12615 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.