CID 39476

47594-08-1

Structural Information

Molecular Formula
C19H18F6N2O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C19H18F6N2O/c1-12(8-13-4-2-5-14(9-13)18(20,21)22)26-11-17(28)27-16-7-3-6-15(10-16)19(23,24)25/h2-7,9-10,12,26H,8,11H2,1H3,(H,27,28)
InChIKey
JPLZUFMZVXPQBR-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.13232 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13960 190.4
[M+Na]+ 427.12154 196.1
[M-H]- 403.12504 188.8
[M+NH4]+ 422.16614 200.3
[M+K]+ 443.09548 190.3
[M+H-H2O]+ 387.12958 177.1
[M+HCOO]- 449.13052 203.7
[M+CH3COO]- 463.14617 227.3
[M+Na-2H]- 425.10699 190.7
[M]+ 404.13177 181.7
[M]- 404.13287 181.7
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.