CID 3068374

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

Structural Information

Molecular Formula
C14H15N5O4
SMILES
C=CCOC(=O)NC1=NC(=CC2=NC(=O)ON21)N3CCC=CC3
InChI
InChI=1S/C14H15N5O4/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/h2-4,9H,1,5-8H2,(H,15,17,20)
InChIKey
QLESDPZBHLIKTQ-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

317.1124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11968 170.7
[M+Na]+ 340.10162 179.7
[M-H]- 316.10512 174.3
[M+NH4]+ 335.14622 180.6
[M+K]+ 356.07556 176.5
[M+H-H2O]+ 300.10966 160.3
[M+HCOO]- 362.11060 189.2
[M+CH3COO]- 376.12625 205.6
[M+Na-2H]- 338.08707 175.7
[M]+ 317.11185 173.7
[M]- 317.11295 173.7
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