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 175.9
[M+Na]+ 356.13292 184.1
[M-H]- 332.13642 179.2
[M+NH4]+ 351.17752 185.2
[M+K]+ 372.10686 181.4
[M+H-H2O]+ 316.14096 165.2
[M+HCOO]- 378.14190 193.8
[M+CH3COO]- 392.15755 209.2
[M+Na-2H]- 354.11837 180.4
[M]+ 333.14315 179.9
[M]- 333.14425 179.9
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