CID 3088870

Sr 44085 a

Structural Information

Molecular Formula
C23H25NO2
SMILES
CN(C)CCC(COC(=O)C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H25NO2/c1-24(2)16-15-20(17-26-23(25)19-10-4-3-5-11-19)22-14-8-12-18-9-6-7-13-21(18)22/h3-14,20H,15-17H2,1-2H3
InChIKey
GNYYDHPDLMXQFV-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 185.6
[M+Na]+ 370.17776 199.4
[M+NH4]+ 365.22236 194.1
[M+K]+ 386.15170 190.6
[M-H]- 346.18126 191.6
[M+Na-2H]- 368.16321 194.5
[M]+ 347.18799 189.4
[M]- 347.18909 189.4
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.