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 209.6
[M+Na]+ 472.17622 212.4
[M-H]- 448.17972 218.8
[M+NH4]+ 467.22082 215.9
[M+K]+ 488.15016 205.4
[M+H-H2O]+ 432.18426 197.9
[M+HCOO]- 494.18520 222.0
[M+CH3COO]- 508.20085 216.0
[M+Na-2H]- 470.16167 207.8
[M]+ 449.18645 206.4
[M]- 449.18755 206.4
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.