CID 3088916

Sr 44661 a

Structural Information

Molecular Formula
C24H26FNO2
SMILES
CN(C)CCCC(COC(=O)C1=CC=C(C=C1)F)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C24H26FNO2/c1-26(2)16-6-9-20(17-28-24(27)19-12-14-21(25)15-13-19)23-11-5-8-18-7-3-4-10-22(18)23/h3-5,7-8,10-15,20H,6,9,16-17H2,1-2H3
InChIKey
LNMQNGAQQLPLCJ-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.19476 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20204 194.6
[M+Na]+ 402.18398 198.7
[M-H]- 378.18748 200.8
[M+NH4]+ 397.22858 207.0
[M+K]+ 418.15792 194.4
[M+H-H2O]+ 362.19202 183.7
[M+HCOO]- 424.19296 214.0
[M+CH3COO]- 438.20861 226.9
[M+Na-2H]- 400.16943 195.4
[M]+ 379.19421 196.6
[M]- 379.19531 196.6
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.