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]+ 289.15468 165.9
[M+Na]+ 311.13662 173.8
[M-H]- 287.14012 171.4
[M+NH4]+ 306.18122 180.2
[M+K]+ 327.11056 170.9
[M+H-H2O]+ 271.14466 157.3
[M+HCOO]- 333.14560 183.7
[M+CH3COO]- 347.16125 200.7
[M+Na-2H]- 309.12207 168.4
[M]+ 288.14685 167.4
[M]- 288.14795 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.