CID 3068372

83395-31-7

Structural Information

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

319.12805 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13533 171.6
[M+Na]+ 342.11727 180.0
[M-H]- 318.12077 175.3
[M+NH4]+ 337.16187 181.5
[M+K]+ 358.09121 178.0
[M+H-H2O]+ 302.12531 161.4
[M+HCOO]- 364.12625 188.9
[M+CH3COO]- 378.14190 207.2
[M+Na-2H]- 340.10272 175.6
[M]+ 319.12750 174.8
[M]- 319.12860 174.8
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