CID 15957795

Schembl6087138

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=NC(=CC=C2)Cl)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H20ClN3O3/c1-4-16-18(25)23-20(26)24(11-14-6-5-7-17(21)22-14)19(16)27-15-9-12(2)8-13(3)10-15/h5-10H,4,11H2,1-3H3,(H,23,25,26)
InChIKey
RNVKLJRVLHEZHZ-UHFFFAOYSA-N
Compound name
1-[(6-chloropyridin-2-yl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

385.11932 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 191.0
[M+Na]+ 408.10854 202.9
[M-H]- 384.11204 196.5
[M+NH4]+ 403.15314 199.3
[M+K]+ 424.08248 194.8
[M+H-H2O]+ 368.11658 180.2
[M+HCOO]- 430.11752 204.9
[M+CH3COO]- 444.13317 218.4
[M+Na-2H]- 406.09399 192.1
[M]+ 385.11877 196.7
[M]- 385.11987 196.7
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

patents stripe