CID 3046378

62033-54-9

Structural Information

Molecular Formula
C18H25NO4
SMILES
CCCN1CCCC(C1)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H25NO4/c1-4-9-19-10-5-6-16(12-19)15-7-8-17(22-13(2)20)18(11-15)23-14(3)21/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKey
SATSDNCZENLOMK-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-(1-propylpiperidin-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

319.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 176.3
[M+Na]+ 342.16756 180.7
[M-H]- 318.17106 180.7
[M+NH4]+ 337.21216 189.1
[M+K]+ 358.14150 178.6
[M+H-H2O]+ 302.17560 167.6
[M+HCOO]- 364.17654 192.9
[M+CH3COO]- 378.19219 208.2
[M+Na-2H]- 340.15301 175.0
[M]+ 319.17779 177.2
[M]- 319.17889 177.2
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

patents stripe