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 186.5
[M+Na]+ 370.17776 190.1
[M-H]- 346.18126 194.0
[M+NH4]+ 365.22236 200.1
[M+K]+ 386.15170 186.4
[M+H-H2O]+ 330.18580 176.7
[M+HCOO]- 392.18674 207.5
[M+CH3COO]- 406.20239 220.2
[M+Na-2H]- 368.16321 189.2
[M]+ 347.18799 188.8
[M]- 347.18909 188.8
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.