CID 58801

101710-94-5

Structural Information

Molecular Formula
C19H27NO5
SMILES
CC(=C)C(C1=CC(=C(C=C1)OC)OC)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C19H27NO5/c1-13(2)19(22,14-6-7-16(23-4)17(12-14)24-5)18(21)25-15-8-10-20(3)11-9-15/h6-7,12,15,22H,1,8-11H2,2-5H3
InChIKey
NIHALXQKTUBPOF-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.18893 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19621 182.6
[M+Na]+ 372.17815 186.2
[M-H]- 348.18165 185.6
[M+NH4]+ 367.22275 193.4
[M+K]+ 388.15209 184.4
[M+H-H2O]+ 332.18619 174.6
[M+HCOO]- 394.18713 196.0
[M+CH3COO]- 408.20278 212.1
[M+Na-2H]- 370.16360 181.7
[M]+ 349.18838 183.1
[M]- 349.18948 183.1
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.