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 196.8
[M+Na]+ 412.23592 197.7
[M-H]- 388.23942 206.6
[M+NH4]+ 407.28052 204.4
[M+K]+ 428.20986 193.7
[M+H-H2O]+ 372.24396 184.1
[M+HCOO]- 434.24490 213.4
[M+CH3COO]- 448.26055 204.2
[M+Na-2H]- 410.22137 196.2
[M]+ 389.24615 193.9
[M]- 389.24725 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.