CID 3058452

75274-18-9

Structural Information

Molecular Formula
C18H21N3O5
SMILES
CCOC(=O)C(=O)NC1=CC(=NC(=N1)C)OCCOCC2=CC=CC=C2
InChI
InChI=1S/C18H21N3O5/c1-3-25-18(23)17(22)21-15-11-16(20-13(2)19-15)26-10-9-24-12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,20,21,22)
InChIKey
ODPKTZBNHHWEBW-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-methyl-6-(2-phenylmethoxyethoxy)pyrimidin-4-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

359.14813 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15541 183.9
[M+Na]+ 382.13735 189.2
[M-H]- 358.14085 187.6
[M+NH4]+ 377.18195 193.1
[M+K]+ 398.11129 186.9
[M+H-H2O]+ 342.14539 173.2
[M+HCOO]- 404.14633 204.7
[M+CH3COO]- 418.16198 215.1
[M+Na-2H]- 380.12280 187.0
[M]+ 359.14758 189.5
[M]- 359.14868 189.5
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

patents stripe