CID 42496

57645-37-1

Structural Information

Molecular Formula
C20H25N3O2
SMILES
COC1=C(C=CC(=C1)N)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H25N3O2/c1-25-19-13-16(21)7-8-18(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
YNAYXBGDPPQIFZ-UHFFFAOYSA-N
Compound name
4-amino-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

339.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 182.2
[M+Na]+ 362.183888 185.2
[M-H]- 338.187394 188.9
[M+NH4]+ 357.228493 192.7
[M+K]+ 378.157828 180.5
[M+H-H2O]+ 322.191930 171.6
[M+HCOO]- 384.192871 201.2
[M+CH3COO]- 398.208521 216.1
[M+Na-2H]- 360.169336 183.3
[M]+ 339.19412142 177.1
[M]- 339.19521858 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

patents stripe