CID 3068371

83395-30-6

Structural Information

Molecular Formula
C14H17N5O4
SMILES
CCCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C14H17N5O4/c1-2-8-22-13(20)17-12-15-10(18-6-4-3-5-7-18)9-11-16-14(21)23-19(11)12/h3-4,9H,2,5-8H2,1H3,(H,15,17,20)
InChIKey
XIYGRWCMWJGFRF-UHFFFAOYSA-N
Compound name
propyl 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

319.12805 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13533 171.4
[M+Na]+ 342.11727 183.5
[M+NH4]+ 337.16187 175.9
[M+K]+ 358.09121 181.0
[M-H]- 318.12077 173.3
[M+Na-2H]- 340.10272 175.9
[M]+ 319.12750 173.3
[M]- 319.12860 173.3
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