CID 71332513

101213-09-6

Structural Information

Molecular Formula
C22H37NO2
SMILES
CCCCCC1=CC(=C(C=C1)OCC(=O)N(CC)CC)CCCCC
InChI
InChI=1S/C22H37NO2/c1-5-9-11-13-19-15-16-21(20(17-19)14-12-10-6-2)25-18-22(24)23(7-3)8-4/h15-17H,5-14,18H2,1-4H3
InChIKey
JAEANXPMQQXRDH-UHFFFAOYSA-N
Compound name
2-(2,4-dipentylphenoxy)-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

347.28244 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.28972 193.0
[M+Na]+ 370.27166 196.0
[M-H]- 346.27516 196.3
[M+NH4]+ 365.31626 207.0
[M+K]+ 386.24560 193.2
[M+H-H2O]+ 330.27970 184.5
[M+HCOO]- 392.28064 214.3
[M+CH3COO]- 406.29629 224.3
[M+Na-2H]- 368.25711 191.0
[M]+ 347.28189 200.4
[M]- 347.28299 200.4
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