CID 11971507

Alpha-methyl-n-(3-phenyl-5-isoxazolyl)-n-(phenylmethyl)-1-piperidinepropanamine hydrochloride

Structural Information

Molecular Formula
C25H31N3O
SMILES
CC(CCN1CCCCC1)N(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4
InChI
InChI=1S/C25H31N3O/c1-21(15-18-27-16-9-4-10-17-27)28(20-22-11-5-2-6-12-22)25-19-24(26-29-25)23-13-7-3-8-14-23/h2-3,5-8,11-14,19,21H,4,9-10,15-18,20H2,1H3
InChIKey
FOMOBHIVCJXCEC-UHFFFAOYSA-N
Compound name
N-benzyl-3-phenyl-N-(4-piperidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.2467 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.253976 196.8
[M+Na]+ 412.235918 197.7
[M-H]- 388.239424 206.6
[M+NH4]+ 407.280523 204.4
[M+K]+ 428.209858 193.7
[M+H-H2O]+ 372.243960 184.1
[M+HCOO]- 434.244901 213.4
[M+CH3COO]- 448.260551 204.2
[M+Na-2H]- 410.221366 196.2
[M]+ 389.24615142 193.9
[M]- 389.24724858 193.9
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.