CID 3068373

83395-32-8

Structural Information

Molecular Formula
C14H13N5O4
SMILES
C#CCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C14H13N5O4/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/h1,3-4,9H,5-8H2,(H,15,17,20)
InChIKey
QYTIRWVZIPCHQB-UHFFFAOYSA-N
Compound name
prop-2-ynyl 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

4
Patents

315.09674 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10402 166.3
[M+Na]+ 338.08596 176.4
[M-H]- 314.08946 165.8
[M+NH4]+ 333.13056 174.0
[M+K]+ 354.05990 171.6
[M+H-H2O]+ 298.09400 149.0
[M+HCOO]- 360.09494 178.3
[M+CH3COO]- 374.11059 174.4
[M+Na-2H]- 336.07141 169.5
[M]+ 315.09619 162.6
[M]- 315.09729 162.6
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