CID 3046190

N-(alpha-methyl-m-trifluoromethylphenethyl)-p-pentylamino-phenoxyacetamide

Structural Information

Molecular Formula
C23H29F3N2O2
SMILES
CCCCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C23H29F3N2O2/c1-3-4-5-13-27-20-9-11-21(12-10-20)30-16-22(29)28-17(2)14-18-7-6-8-19(15-18)23(24,25)26/h6-12,15,17,27H,3-5,13-14,16H2,1-2H3,(H,28,29)
InChIKey
OKANZOAIOOIVQA-UHFFFAOYSA-N
Compound name
2-[4-(pentylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.2181 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22538 203.4
[M+Na]+ 445.20732 206.4
[M-H]- 421.21082 204.8
[M+NH4]+ 440.25192 212.5
[M+K]+ 461.18126 201.3
[M+H-H2O]+ 405.21536 191.3
[M+HCOO]- 467.21630 220.5
[M+CH3COO]- 481.23195 233.1
[M+Na-2H]- 443.19277 202.6
[M]+ 422.21755 201.8
[M]- 422.21865 201.8
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.