CID 3070521

Carbamic acid, (7-(3,6-dihydro-1(2h)-pyridinyl)-2-oxo-2h-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, 2-methylpropyl ester

Structural Information

Molecular Formula
C15H19N5O4
SMILES
CC(C)COC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C15H19N5O4/c1-10(2)9-23-14(21)18-13-16-11(19-6-4-3-5-7-19)8-12-17-15(22)24-20(12)13/h3-4,8,10H,5-7,9H2,1-2H3,(H,16,18,21)
InChIKey
MWWOXOPFRZUERC-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15098 175.1
[M+Na]+ 356.13292 186.6
[M+NH4]+ 351.17752 179.3
[M+K]+ 372.10686 184.8
[M-H]- 332.13642 176.7
[M+Na-2H]- 354.11837 179.0
[M]+ 333.14315 176.7
[M]- 333.14425 176.7
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