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]+ 337.212176 181.1
[M+Na]+ 359.194118 184.6
[M-H]- 335.197624 186.7
[M+NH4]+ 354.238723 193.5
[M+K]+ 375.168058 184.0
[M+H-H2O]+ 319.202160 171.6
[M+HCOO]- 381.203101 200.0
[M+CH3COO]- 395.218751 217.2
[M+Na-2H]- 357.179566 180.7
[M]+ 336.20435142 183.9
[M]- 336.20544858 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