CID 129318388

64352-84-7

Structural Information

Molecular Formula
C32H26F6N2O5
SMILES
C1=CC=C(C(=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C32H26F6N2O5/c33-31(34,35)21-7-5-9-23(19-21)39-27-13-3-1-11-25(27)29(41)44-17-15-43-16-18-45-30(42)26-12-2-4-14-28(26)40-24-10-6-8-22(20-24)32(36,37)38/h1-14,19-20,39-40H,15-18H2
InChIKey
KKGKTVVZWJTHAO-UHFFFAOYSA-N
Compound name
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.17456 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.18184 248.3
[M+Na]+ 655.16378 251.3
[M-H]- 631.16728 251.7
[M+NH4]+ 650.20838 247.3
[M+K]+ 671.13772 245.4
[M+H-H2O]+ 615.17182 230.2
[M+HCOO]- 677.17276 259.8
[M+CH3COO]- 691.18841 265.7
[M+Na-2H]- 653.14923 246.6
[M]+ 632.17401 244.5
[M]- 632.17511 244.5
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.