CID 30808

21787-36-0

Structural Information

Molecular Formula
C15H17N3O6
SMILES
CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC3CCN(CC3)C
InChI
InChI=1S/C15H17N3O6/c1-9-13(15(19)22-10-5-7-17(2)8-6-10)14(16-24-9)11-3-4-12(23-11)18(20)21/h3-4,10H,5-8H2,1-2H3
InChIKey
VTMTVCHHVCVAQT-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.11172 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.118996 174.7
[M+Na]+ 358.100938 180.7
[M-H]- 334.104444 184.1
[M+NH4]+ 353.145543 185.2
[M+K]+ 374.074878 177.0
[M+H-H2O]+ 318.108980 171.2
[M+HCOO]- 380.109921 195.0
[M+CH3COO]- 394.125571 201.5
[M+Na-2H]- 356.086386 177.3
[M]+ 335.11117142 176.5
[M]- 335.11226858 176.5
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

No patent data available for this compound.