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 171.5
[M+Na]+ 342.11727 180.2
[M-H]- 318.12077 175.0
[M+NH4]+ 337.16187 181.4
[M+K]+ 358.09121 177.6
[M+H-H2O]+ 302.12531 161.0
[M+HCOO]- 364.12625 189.7
[M+CH3COO]- 378.14190 206.2
[M+Na-2H]- 340.10272 176.5
[M]+ 319.12750 175.2
[M]- 319.12860 175.2
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