CID 3068368

Methyl 7-(3,6-dihydro-1(2h)-pyridyl)-2-oxo-2h-(1,2,4)oxadiazolo(2,3-c)pyrimidine-5-carbamate

Structural Information

Molecular Formula
C12H13N5O4
SMILES
COC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C12H13N5O4/c1-20-11(18)15-10-13-8(16-5-3-2-4-6-16)7-9-14-12(19)21-17(9)10/h2-3,7H,4-6H2,1H3,(H,13,15,18)
InChIKey
NWNPRJHGDCHFCK-UHFFFAOYSA-N
Compound name
methyl N-[7-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-[1,2,4]oxadiazolo[2,3-c]pyrimidin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

291.09674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10402 162.6
[M+Na]+ 314.08596 175.1
[M+NH4]+ 309.13056 167.4
[M+K]+ 330.05990 173.1
[M-H]- 290.08946 164.5
[M+Na-2H]- 312.07141 167.6
[M]+ 291.09619 164.5
[M]- 291.09729 164.5
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