CID 129318389

2200281-00-9

Structural Information

Molecular Formula
C22H26F3NO4
SMILES
CCCCOCCOCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C22H26F3NO4/c1-2-3-11-28-12-13-29-14-15-30-21(27)19-9-4-5-10-20(19)26-18-8-6-7-17(16-18)22(23,24)25/h4-10,16,26H,2-3,11-15H2,1H3
InChIKey
BYJRRSFVIXWYCK-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1814 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18868 201.5
[M+Na]+ 448.17062 205.8
[M-H]- 424.17412 203.0
[M+NH4]+ 443.21522 210.7
[M+K]+ 464.14456 201.5
[M+H-H2O]+ 408.17866 189.3
[M+HCOO]- 470.17960 219.2
[M+CH3COO]- 484.19525 228.3
[M+Na-2H]- 446.15607 202.1
[M]+ 425.18085 203.7
[M]- 425.18195 203.7
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.