CID 128205

Beta-methyl-n-(3-phenyl-5-isoxazolyl)-n-(phenylmethyl)-1-piperidinepropanamine fumarate

Structural Information

Molecular Formula
C24H29N3O
SMILES
C1CCN(CC1)CCCN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4
InChI
InChI=1S/C24H29N3O/c1-4-11-21(12-5-1)20-27(18-10-17-26-15-8-3-9-16-26)24-19-23(25-28-24)22-13-6-2-7-14-22/h1-2,4-7,11-14,19H,3,8-10,15-18,20H2
InChIKey
XUXAULMFAAVOKM-UHFFFAOYSA-N
Compound name
N-benzyl-3-phenyl-N-(3-piperidin-1-ylpropyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

375.23105 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 195.1
[M+Na]+ 398.22027 208.8
[M+NH4]+ 393.26487 203.2
[M+K]+ 414.19421 201.2
[M-H]- 374.22377 204.6
[M+Na-2H]- 396.20572 205.5
[M]+ 375.23050 199.8
[M]- 375.23160 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe