CID 3238551

Ml158

Structural Information

Molecular Formula
C26H36N2O5
SMILES
CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CCCN(C2)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C26H36N2O5/c1-27(14-12-19-8-10-22(30-2)24(15-19)32-4)26(29)21-7-6-13-28(18-21)17-20-9-11-23(31-3)25(16-20)33-5/h8-11,15-16,21H,6-7,12-14,17-18H2,1-5H3
InChIKey
XJJDWEDQSMGTCV-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

456.26242 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.269696 213.6
[M+Na]+ 479.251638 216.0
[M-H]- 455.255144 221.9
[M+NH4]+ 474.296243 220.6
[M+K]+ 495.225578 214.2
[M+H-H2O]+ 439.259680 201.6
[M+HCOO]- 501.260621 230.9
[M+CH3COO]- 515.276271 241.2
[M+Na-2H]- 477.237086 210.2
[M]+ 456.26187142 218.4
[M]- 456.26296858 218.4
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.