CID 2761139

450368-32-8

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

51
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 169.0
[M+Na]+ 317.12202 180.3
[M+NH4]+ 312.16662 173.9
[M+K]+ 333.09596 176.8
[M-H]- 293.12552 173.2
[M+Na-2H]- 315.10747 173.2
[M]+ 294.13225 171.4
[M]- 294.13335 171.4
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