CID 3046191

61749-01-7

Structural Information

Molecular Formula
C21H25F3N2O2
SMILES
CCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C21H25F3N2O2/c1-3-11-25-18-7-9-19(10-8-18)28-14-20(27)26-15(2)12-16-5-4-6-17(13-16)21(22,23)24/h4-10,13,15,25H,3,11-12,14H2,1-2H3,(H,26,27)
InChIKey
KHCDQZNBJCNBGH-UHFFFAOYSA-N
Compound name
2-[4-(propylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19408 194.4
[M+Na]+ 417.17602 198.2
[M-H]- 393.17952 196.1
[M+NH4]+ 412.22062 204.6
[M+K]+ 433.14996 193.5
[M+H-H2O]+ 377.18406 182.7
[M+HCOO]- 439.18500 212.1
[M+CH3COO]- 453.20065 227.3
[M+Na-2H]- 415.16147 194.6
[M]+ 394.18625 192.0
[M]- 394.18735 192.0
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.