CID 3076124

Brn 4298347

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CNC1=CC(=C(C=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c1-22-18-8-9-20(26-2)19(14-18)21(25)23-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)
InChIKey
SCVGNCAZSKGECY-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.0
[M+Na]+ 376.19955 188.6
[M-H]- 352.20305 193.0
[M+NH4]+ 371.24415 196.2
[M+K]+ 392.17349 184.0
[M+H-H2O]+ 336.20759 175.1
[M+HCOO]- 398.20853 205.3
[M+CH3COO]- 412.22418 219.6
[M+Na-2H]- 374.18500 187.6
[M]+ 353.20978 182.2
[M]- 353.21088 182.2
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.