CID 3044757

Benzamide, 2-methoxy-n-(1-(phenylmethyl)-4-piperidinyl)-4-((trifluoroacetyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C22H24F3N3O3
SMILES
COC1=C(C=CC(=C1)NC(=O)C(F)(F)F)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H24F3N3O3/c1-31-19-13-17(27-21(30)22(23,24)25)7-8-18(19)20(29)26-16-9-11-28(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,26,29)(H,27,30)
InChIKey
RKRGBRGPDLPWTK-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17697 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18425 200.0
[M+Na]+ 458.16619 206.6
[M+NH4]+ 453.21079 202.8
[M+K]+ 474.14013 201.8
[M-H]- 434.16969 199.7
[M+Na-2H]- 456.15164 204.1
[M]+ 435.17642 200.3
[M]- 435.17752 200.3
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.