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 201.6
[M+Na]+ 458.16619 204.3
[M-H]- 434.16969 204.7
[M+NH4]+ 453.21079 208.1
[M+K]+ 474.14013 199.4
[M+H-H2O]+ 418.17423 188.3
[M+HCOO]- 480.17517 215.0
[M+CH3COO]- 494.19082 232.0
[M+Na-2H]- 456.15164 200.9
[M]+ 435.17642 194.5
[M]- 435.17752 194.5
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.