CID 2761139

2,6-dimorpholinopyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H18N4O4
SMILES
C1COCCN1C2=NC(=NC(=C2)C(=O)O)N3CCOCC3
InChI
InChI=1S/C13H18N4O4/c18-12(19)10-9-11(16-1-5-20-6-2-16)15-13(14-10)17-3-7-21-8-4-17/h9H,1-8H2,(H,18,19)
InChIKey
PLTAUCRWFSTPNT-UHFFFAOYSA-N
Compound name
2,6-dimorpholin-4-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

294.1328 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14008 170.0
[M+Na]+ 317.12202 173.4
[M-H]- 293.12552 172.6
[M+NH4]+ 312.16662 174.9
[M+K]+ 333.09596 172.4
[M+H-H2O]+ 277.13006 158.0
[M+HCOO]- 339.13100 178.3
[M+CH3COO]- 353.14665 177.4
[M+Na-2H]- 315.10747 172.5
[M]+ 294.13225 163.9
[M]- 294.13335 163.9
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