CID 146049349

N,n-bis({2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl})-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H16Cl2F9N3O
SMILES
C1=CC=C(C(=C1)C(=O)N(CCC2=C(C=C(C=N2)C(F)(F)F)Cl)CCC3=C(C=C(C=N3)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C24H16Cl2F9N3O/c25-17-9-13(22(27,28)29)11-36-19(17)5-7-38(21(39)15-3-1-2-4-16(15)24(33,34)35)8-6-20-18(26)10-14(12-37-20)23(30,31)32/h1-4,9-12H,5-8H2
InChIKey
HXOKOGPPQLXKSW-UHFFFAOYSA-N
Compound name
N,N-bis[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.0527 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.05998 227.9
[M+Na]+ 626.04192 238.1
[M-H]- 602.04542 224.8
[M+NH4]+ 621.08652 230.0
[M+K]+ 642.01586 228.1
[M+H-H2O]+ 586.04996 210.0
[M+HCOO]- 648.05090 224.8
[M+CH3COO]- 662.06655 257.1
[M+Na-2H]- 624.02737 225.2
[M]+ 603.05215 223.6
[M]- 603.05325 223.6
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.