CID 43021

3-methyl-6-(3-piperidinopropionyl)-2-benzoxazolinone hydrochloride

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)CCN3CCCCC3)OC1=O
InChI
InChI=1S/C16H20N2O3/c1-17-13-6-5-12(11-15(13)21-16(17)20)14(19)7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3
InChIKey
MLPDLWYPRCPOCO-UHFFFAOYSA-N
Compound name
3-methyl-6-(3-piperidin-1-ylpropanoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 165.8
[M+Na]+ 311.13662 178.8
[M+NH4]+ 306.18122 172.8
[M+K]+ 327.11056 174.5
[M-H]- 287.14012 169.3
[M+Na-2H]- 309.12207 170.6
[M]+ 288.14685 168.5
[M]- 288.14795 168.5
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.