CID 1909557

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

Structural Information

Molecular Formula
C27H22F6N2O2
SMILES
CC(C)C1=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/C27H22F6N2O2/c1-16(2)18-11-9-17(10-12-18)13-23(24(36)34-21-7-3-5-19(14-21)26(28,29)30)25(37)35-22-8-4-6-20(15-22)27(31,32)33/h3-16H,1-2H3,(H,34,36)(H,35,37)
InChIKey
MUPOAYHPVZOLCJ-UHFFFAOYSA-N
Compound name
2-[(4-propan-2-ylphenyl)methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

520.15857 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.16585 210.1
[M+Na]+ 543.14779 214.0
[M+NH4]+ 538.19239 210.1
[M+K]+ 559.12173 209.9
[M-H]- 519.15129 206.0
[M+Na-2H]- 541.13324 211.7
[M]+ 520.15802 208.9
[M]- 520.15912 208.9
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