CID 2738553

Mls000859795

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC=C2N3CCCCC3)OC
InChI
InChI=1S/C21H26N2O3/c1-25-19-11-10-16(14-20(19)26-2)15-21(24)22-17-8-4-5-9-18(17)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKey
XJNQWJQBWFLYGJ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 186.1
[M+Na]+ 377.183558 189.3
[M-H]- 353.187064 193.2
[M+NH4]+ 372.228163 196.4
[M+K]+ 393.157498 185.4
[M+H-H2O]+ 337.191600 175.2
[M+HCOO]- 399.192541 204.5
[M+CH3COO]- 413.208191 216.6
[M+Na-2H]- 375.169006 187.1
[M]+ 354.19379142 184.3
[M]- 354.19488858 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.