CID 142891637

2-(diethylamino)-1-phenylhexan-1-one

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCCC(C(=O)C1=CC=CC=C1)N(CC)CC
InChI
InChI=1S/C16H25NO/c1-4-7-13-15(17(5-2)6-3)16(18)14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3
InChIKey
NENXJHRWKCXPEW-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 163.4
[M+Na]+ 270.182838 166.9
[M-H]- 246.186344 167.3
[M+NH4]+ 265.227443 180.8
[M+K]+ 286.156778 165.4
[M+H-H2O]+ 230.190880 156.0
[M+HCOO]- 292.191821 185.6
[M+CH3COO]- 306.207471 203.6
[M+Na-2H]- 268.168286 164.8
[M]+ 247.19307142 165.9
[M]- 247.19416858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.