CID 25899

13349-33-2

Structural Information

Molecular Formula
C23H33NO2
SMILES
CCCOC(=O)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C23H33NO2/c1-6-17-26-22(25)23(18(2)3,15-10-16-24(4)5)21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14,18H,6,10,15-17H2,1-5H3
InChIKey
OEKSQKIRLROKDH-UHFFFAOYSA-N
Compound name
propyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.25113 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 192.5
[M+Na]+ 378.24035 195.4
[M-H]- 354.24385 196.7
[M+NH4]+ 373.28495 206.6
[M+K]+ 394.21429 192.8
[M+H-H2O]+ 338.24839 184.3
[M+HCOO]- 400.24933 210.6
[M+CH3COO]- 414.26498 224.7
[M+Na-2H]- 376.22580 193.6
[M]+ 355.25058 197.3
[M]- 355.25168 197.3
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.