CID 55379

Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C17H25NO
SMILES
CCN(CC)CC(=O)C1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C17H25NO/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14/h9-12,14H,3-8,13H2,1-2H3
InChIKey
NYNFYNKUEFSJNH-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-(diethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 165.4
[M+Na]+ 282.182818 168.7
[M-H]- 258.186324 172.3
[M+NH4]+ 277.227423 183.9
[M+K]+ 298.156758 166.3
[M+H-H2O]+ 242.190860 157.6
[M+HCOO]- 304.191801 187.5
[M+CH3COO]- 318.207451 203.1
[M+Na-2H]- 280.168266 164.9
[M]+ 259.19305142 164.4
[M]- 259.19414858 164.4
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

patents stripe