CID 3055328

72279-03-9

Structural Information

Molecular Formula
C21H29NO2
SMILES
CN(C)CCCCOC1=CC=CC=C1CCC2=CC=CC=C2OC
InChI
InChI=1S/C21H29NO2/c1-22(2)16-8-9-17-24-21-13-7-5-11-19(21)15-14-18-10-4-6-12-20(18)23-3/h4-7,10-13H,8-9,14-17H2,1-3H3
InChIKey
VPTMVMRUXHXVOL-UHFFFAOYSA-N
Compound name
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

327.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 182.8
[M+Na]+ 350.20904 187.2
[M-H]- 326.21254 189.8
[M+NH4]+ 345.25364 197.1
[M+K]+ 366.18298 184.2
[M+H-H2O]+ 310.21708 173.3
[M+HCOO]- 372.21802 206.6
[M+CH3COO]- 386.23367 217.5
[M+Na-2H]- 348.19449 185.1
[M]+ 327.21927 188.4
[M]- 327.22037 188.4
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

patents stripe