CID 57424

98635-51-9

Structural Information

Molecular Formula
C21H29NO2
SMILES
CCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C21H29NO2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey
JFILQUOTCRWJCG-UHFFFAOYSA-N
Compound name
2-[(4-butoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 183.4
[M+Na]+ 350.20904 186.6
[M-H]- 326.21254 190.1
[M+NH4]+ 345.25364 197.2
[M+K]+ 366.18298 184.0
[M+H-H2O]+ 310.21708 173.8
[M+HCOO]- 372.21802 206.2
[M+CH3COO]- 386.23367 217.2
[M+Na-2H]- 348.19449 185.1
[M]+ 327.21927 187.9
[M]- 327.22037 187.9
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.