CID 71342424

138724-53-5

Structural Information

Molecular Formula
C14H17N5O5S
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)N(C2=NC(=CC(=N2)OC)OC)C(=O)N
InChI
InChI=1S/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)
InChIKey
YKUAHBLGZCTWPS-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-1-(3-ethylsulfonylpyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

367.09503 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10231 180.1
[M+Na]+ 390.08425 190.0
[M+NH4]+ 385.12885 183.3
[M+K]+ 406.05819 185.9
[M-H]- 366.08775 180.6
[M+Na-2H]- 388.06970 185.5
[M]+ 367.09448 181.7
[M]- 367.09558 181.7
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.