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

9
Patents

291.09674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.104016 162.6
[M+Na]+ 314.085958 172.2
[M-H]- 290.089464 166.5
[M+NH4]+ 309.130563 173.7
[M+K]+ 330.059898 170.1
[M+H-H2O]+ 274.094000 152.5
[M+HCOO]- 336.094941 181.5
[M+CH3COO]- 350.110591 173.9
[M+Na-2H]- 312.071406 168.6
[M]+ 291.09619142 165.7
[M]- 291.09728858 165.7
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