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]+ 356.258406 192.5
[M+Na]+ 378.240348 195.4
[M-H]- 354.243854 196.7
[M+NH4]+ 373.284953 206.6
[M+K]+ 394.214288 192.8
[M+H-H2O]+ 338.248390 184.3
[M+HCOO]- 400.249331 210.6
[M+CH3COO]- 414.264981 224.7
[M+Na-2H]- 376.225796 193.6
[M]+ 355.25058142 197.3
[M]- 355.25167858 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.