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]+ 390.25398 198.8
[M+Na]+ 412.23592 212.0
[M+NH4]+ 407.28052 206.6
[M+K]+ 428.20986 205.0
[M-H]- 388.23942 208.1
[M+Na-2H]- 410.22137 208.7
[M]+ 389.24615 203.4
[M]- 389.24725 203.4
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.