CID 23163

6699-17-8

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCOC(=O)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C22H31NO2/c1-6-25-21(24)22(17(2)3,15-10-16-23(4)5)20-14-9-12-18-11-7-8-13-19(18)20/h7-9,11-14,17H,6,10,15-16H2,1-5H3
InChIKey
DAHOESPLRTYOBD-UHFFFAOYSA-N
Compound name
ethyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 187.7
[M+Na]+ 364.224688 191.1
[M-H]- 340.228194 192.2
[M+NH4]+ 359.269293 202.4
[M+K]+ 380.198628 188.8
[M+H-H2O]+ 324.232730 179.8
[M+HCOO]- 386.233671 206.2
[M+CH3COO]- 400.249321 221.8
[M+Na-2H]- 362.210136 189.5
[M]+ 341.23492142 192.2
[M]- 341.23601858 192.2
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.