CID 116835

70714-84-0

Structural Information

Molecular Formula
C20H22ClF3N4O2
SMILES
CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC
InChI
InChI=1S/C20H22ClF3N4O2/c1-5-28(6-2)18-10-16(25-12(3)29)17(11-19(18)30-4)27-26-15-8-7-13(21)9-14(15)20(22,23)24/h7-11H,5-6H2,1-4H3,(H,25,29)
InChIKey
GARFCOCQUIFCOP-UHFFFAOYSA-N
Compound name
N-[2-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.13834 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.14562 197.7
[M+Na]+ 465.12756 205.7
[M+NH4]+ 460.17216 201.4
[M+K]+ 481.10150 199.9
[M-H]- 441.13106 198.4
[M+Na-2H]- 463.11301 202.4
[M]+ 442.13779 198.9
[M]- 442.13889 198.9
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

No patent data available for this compound.