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 185.8
[M+Na]+ 358.21412 187.2
[M-H]- 334.21762 195.2
[M+NH4]+ 353.25872 200.3
[M+K]+ 374.18806 183.5
[M+H-H2O]+ 318.22216 176.4
[M+HCOO]- 380.22310 206.1
[M+CH3COO]- 394.23875 217.5
[M+Na-2H]- 356.19957 183.2
[M]+ 335.22435 183.5
[M]- 335.22545 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