CID 55383

85689-89-0

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(C)N(CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C23H29NO/c1-18(2)24(16-19-8-4-3-5-9-19)17-23(25)22-14-12-21(13-15-22)20-10-6-7-11-20/h3-5,8-9,12-15,18,20H,6-7,10-11,16-17H2,1-2H3
InChIKey
FCQQBXIHDMJFPT-UHFFFAOYSA-N
Compound name
2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.8
[M+Na]+ 358.214118 187.2
[M-H]- 334.217624 195.2
[M+NH4]+ 353.258723 200.3
[M+K]+ 374.188058 183.5
[M+H-H2O]+ 318.222160 176.4
[M+HCOO]- 380.223101 206.1
[M+CH3COO]- 394.238751 217.5
[M+Na-2H]- 356.199566 183.2
[M]+ 335.22435142 183.5
[M]- 335.22544858 183.5
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