CID 23159

6699-11-2

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC(=O)C(CC)(CCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H29NO/c1-5-20(23)21(6-2,15-10-16-22(3)4)19-14-9-12-17-11-7-8-13-18(17)19/h7-9,11-14H,5-6,10,15-16H2,1-4H3
InChIKey
VNEWLBTYRSJDAS-UHFFFAOYSA-N
Compound name
7-(dimethylamino)-4-ethyl-4-naphthalen-1-ylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 179.0
[M+Na]+ 334.21412 190.7
[M+NH4]+ 329.25872 187.1
[M+K]+ 350.18806 182.8
[M-H]- 310.21762 182.2
[M+Na-2H]- 332.19957 185.0
[M]+ 311.22435 181.7
[M]- 311.22545 181.7
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.