CID 3068370

83395-28-2

Structural Information

Molecular Formula
C15H19N5O4
SMILES
CCCCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C15H19N5O4/c1-2-3-9-23-14(21)18-13-16-11(19-7-5-4-6-8-19)10-12-17-15(22)24-20(12)13/h4-5,10H,2-3,6-9H2,1H3,(H,16,18,21)
InChIKey
ZMVJFDSUHZPPDR-UHFFFAOYSA-N
Compound name
butyl 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

333.1437 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15098 175.8
[M+Na]+ 356.13292 187.7
[M+NH4]+ 351.17752 180.2
[M+K]+ 372.10686 185.0
[M-H]- 332.13642 177.6
[M+Na-2H]- 354.11837 180.0
[M]+ 333.14315 177.6
[M]- 333.14425 177.6
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