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]+ 342.24275 187.7
[M+Na]+ 364.22469 191.1
[M-H]- 340.22819 192.2
[M+NH4]+ 359.26929 202.4
[M+K]+ 380.19863 188.8
[M+H-H2O]+ 324.23273 179.8
[M+HCOO]- 386.23367 206.2
[M+CH3COO]- 400.24932 221.8
[M+Na-2H]- 362.21014 189.5
[M]+ 341.23492 192.2
[M]- 341.23602 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.