CID 372776

E-bptu

Structural Information

Molecular Formula
C19H19N3O3S
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=CC=CC=N3
InChI
InChI=1S/C19H19N3O3S/c1-2-15-17(23)21-19(24)22(13-25-12-14-8-4-3-5-9-14)18(15)26-16-10-6-7-11-20-16/h3-11H,2,12-13H2,1H3,(H,21,23,24)
InChIKey
NFYXXBIRONUIPP-UHFFFAOYSA-N
Compound name
5-ethyl-1-(phenylmethoxymethyl)-6-pyridin-2-ylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

572
Patents

369.11472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12200 186.0
[M+Na]+ 392.10394 195.4
[M-H]- 368.10744 190.8
[M+NH4]+ 387.14854 193.9
[M+K]+ 408.07788 187.5
[M+H-H2O]+ 352.11198 175.3
[M+HCOO]- 414.11292 200.4
[M+CH3COO]- 428.12857 195.3
[M+Na-2H]- 390.08939 187.9
[M]+ 369.11417 190.0
[M]- 369.11527 190.0
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

patents stripe