CID 4919952

Stk684749

Structural Information

Molecular Formula
C15H17ClN2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCOC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C15H17ClN2O4/c1-10-11(2)18(15(20)17-14(10)19)9-21-7-8-22-13-5-3-12(16)4-6-13/h3-6H,7-9H2,1-2H3,(H,17,19,20)
InChIKey
FJDSBMZBSJXATC-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethoxymethyl]-5,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08768 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09496 169.7
[M+Na]+ 347.07690 180.8
[M-H]- 323.08040 173.2
[M+NH4]+ 342.12150 182.0
[M+K]+ 363.05084 175.1
[M+H-H2O]+ 307.08494 161.4
[M+HCOO]- 369.08588 186.0
[M+CH3COO]- 383.10153 204.4
[M+Na-2H]- 345.06235 172.8
[M]+ 324.08713 176.5
[M]- 324.08823 176.5
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.