CID 3044768

Benzamide, 4-amino-5-chloro-n-(1-(diphenylmethyl)-4-piperidinyl)-2-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C26H28ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)N
InChI
InChI=1S/C26H28ClN3O2/c1-32-24-17-23(28)22(27)16-21(24)26(31)29-20-12-14-30(15-13-20)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20,25H,12-15,28H2,1H3,(H,29,31)
InChIKey
ZTJXYYFRQKXCMI-UHFFFAOYSA-N
Compound name
4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.187 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19428 211.9
[M+Na]+ 472.17622 226.0
[M+NH4]+ 467.22082 219.2
[M+K]+ 488.15016 216.8
[M-H]- 448.17972 220.7
[M+Na-2H]- 470.16167 221.6
[M]+ 449.18645 216.7
[M]- 449.18755 216.7
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.