CID 55383

1-(4-cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate

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]+ 336.23218 186.2
[M+Na]+ 358.21412 197.4
[M+NH4]+ 353.25872 194.7
[M+K]+ 374.18806 191.0
[M-H]- 334.21762 192.9
[M+Na-2H]- 356.19957 194.4
[M]+ 335.22435 189.6
[M]- 335.22545 189.6
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.