CID 165762211

2-(trifluoromethyl)-n-{[2-(trifluoromethyl)phenyl]({[2-(trifluoromethyl)phenyl]formamido})methyl}benzamide

Structural Information

Molecular Formula
C24H15F9N2O2
SMILES
C1=CC=C(C(=C1)C(NC(=O)C2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C24H15F9N2O2/c25-22(26,27)16-10-4-1-7-13(16)19(34-20(36)14-8-2-5-11-17(14)23(28,29)30)35-21(37)15-9-3-6-12-18(15)24(31,32)33/h1-12,19H,(H,34,36)(H,35,37)
InChIKey
YQBHZSISHFGBMU-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-N-[[[2-(trifluoromethyl)benzoyl]amino]-[2-(trifluoromethyl)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.099 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.10628 217.1
[M+Na]+ 557.08822 223.4
[M-H]- 533.09172 215.1
[M+NH4]+ 552.13282 221.1
[M+K]+ 573.06216 216.4
[M+H-H2O]+ 517.09626 200.4
[M+HCOO]- 579.09720 224.5
[M+CH3COO]- 593.11285 247.9
[M+Na-2H]- 555.07367 215.3
[M]+ 534.09845 204.0
[M]- 534.09955 204.0
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.