CID 1911667

2-(4-methylbenzylidene)-n(1),n(3)-bis(3-(trifluoromethyl)phenyl)malonamide

Structural Information

Molecular Formula
C25H18F6N2O2
SMILES
CC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C25H18F6N2O2/c1-15-8-10-16(11-9-15)12-21(22(34)32-19-6-2-4-17(13-19)24(26,27)28)23(35)33-20-7-3-5-18(14-20)25(29,30)31/h2-14H,1H3,(H,32,34)(H,33,35)
InChIKey
BALBCXJOIFOFMT-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

492.12726 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.13454 212.9
[M+Na]+ 515.11648 218.3
[M-H]- 491.11998 214.4
[M+NH4]+ 510.16108 218.6
[M+K]+ 531.09042 211.2
[M+H-H2O]+ 475.12452 198.1
[M+HCOO]- 537.12546 225.0
[M+CH3COO]- 551.14111 242.0
[M+Na-2H]- 513.10193 211.2
[M]+ 492.12671 203.7
[M]- 492.12781 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

patents stripe