CID 3062719

Piperidine, 1-(3,5-dimethoxy-4-(2-(dimethylamino)ethoxy)benzoyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CN(C)CCOC1=C(C=C(C=C1OC)C(=O)N2CCCCC2)OC
InChI
InChI=1S/C18H28N2O4/c1-19(2)10-11-24-17-15(22-3)12-14(13-16(17)23-4)18(21)20-8-6-5-7-9-20/h12-13H,5-11H2,1-4H3
InChIKey
WKJJBODQCJVJSQ-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 181.1
[M+Na]+ 359.19412 184.6
[M-H]- 335.19762 186.7
[M+NH4]+ 354.23872 193.5
[M+K]+ 375.16806 184.0
[M+H-H2O]+ 319.20216 171.6
[M+HCOO]- 381.20310 200.0
[M+CH3COO]- 395.21875 217.2
[M+Na-2H]- 357.17957 180.7
[M]+ 336.20435 183.9
[M]- 336.20545 183.9
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