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]+ 336.11900 174.7
[M+Na]+ 358.10094 180.7
[M-H]- 334.10444 184.1
[M+NH4]+ 353.14554 185.2
[M+K]+ 374.07488 177.0
[M+H-H2O]+ 318.10898 171.2
[M+HCOO]- 380.10992 195.0
[M+CH3COO]- 394.12557 201.5
[M+Na-2H]- 356.08639 177.3
[M]+ 335.11117 176.5
[M]- 335.11227 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.