CID 23162

6699-15-6

Structural Information

Molecular Formula
C21H29NO2
SMILES
CC(C)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C21H29NO2/c1-16(2)21(20(23)24-5,14-9-15-22(3)4)19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-13,16H,9,14-15H2,1-5H3
InChIKey
OFOPKNIMFYKUPQ-UHFFFAOYSA-N
Compound name
methyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 181.4
[M+Na]+ 350.20904 192.3
[M+NH4]+ 345.25364 188.9
[M+K]+ 366.18298 185.8
[M-H]- 326.21254 184.0
[M+Na-2H]- 348.19449 186.7
[M]+ 327.21927 183.7
[M]- 327.22037 183.7
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.