CID 3058462

75274-28-1

Structural Information

Molecular Formula
C13H19N3O6
SMILES
CCOC(=O)C(=O)NC1=CC(=NC=N1)OCCOCCOC
InChI
InChI=1S/C13H19N3O6/c1-3-21-13(18)12(17)16-10-8-11(15-9-14-10)22-7-6-20-5-4-19-2/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKey
GAVDJFCUKYTIKS-UHFFFAOYSA-N
Compound name
ethyl 2-[[6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.12738 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13466 169.1
[M+Na]+ 336.11660 174.4
[M-H]- 312.12010 169.5
[M+NH4]+ 331.16120 180.4
[M+K]+ 352.09054 174.4
[M+H-H2O]+ 296.12464 159.7
[M+HCOO]- 358.12558 190.5
[M+CH3COO]- 372.14123 205.3
[M+Na-2H]- 334.10205 173.0
[M]+ 313.12683 176.8
[M]- 313.12793 176.8
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