CID 391459

Nsc690664

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN3CCCCC3
InChI
InChI=1S/C16H20N2O3/c1-12(19)13-5-6-14-15(11-13)21-16(20)18(14)10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3
InChIKey
CWYHKKKPGVPDLX-UHFFFAOYSA-N
Compound name
6-acetyl-3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 165.9
[M+Na]+ 311.136618 173.8
[M-H]- 287.140124 171.4
[M+NH4]+ 306.181223 180.2
[M+K]+ 327.110558 170.9
[M+H-H2O]+ 271.144660 157.3
[M+HCOO]- 333.145601 183.7
[M+CH3COO]- 347.161251 200.7
[M+Na-2H]- 309.122066 168.4
[M]+ 288.14685142 167.4
[M]- 288.14794858 167.4
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.