CID 3076129

Benzamide, 5-amino-2-methoxy-n-(1-(phenylmethyl)-4-piperidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H25N3O2
SMILES
COC1=C(C=C(C=C1)N)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H25N3O2/c1-25-19-8-7-16(21)13-18(19)20(24)22-17-9-11-23(12-10-17)14-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14,21H2,1H3,(H,22,24)
InChIKey
INUSKRMYLQOJQA-UHFFFAOYSA-N
Compound name
5-amino-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 182.2
[M+Na]+ 362.18389 185.2
[M-H]- 338.18739 188.9
[M+NH4]+ 357.22849 192.7
[M+K]+ 378.15783 180.5
[M+H-H2O]+ 322.19193 171.6
[M+HCOO]- 384.19287 201.2
[M+CH3COO]- 398.20852 216.1
[M+Na-2H]- 360.16934 183.3
[M]+ 339.19412 177.1
[M]- 339.19522 177.1
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.