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 205.2
[M+Na]+ 465.12756 212.9
[M-H]- 441.13106 212.2
[M+NH4]+ 460.17216 216.7
[M+K]+ 481.10150 209.0
[M+H-H2O]+ 425.13560 193.5
[M+HCOO]- 487.13654 225.4
[M+CH3COO]- 501.15219 247.5
[M+Na-2H]- 463.11301 205.4
[M]+ 442.13779 209.6
[M]- 442.13889 209.6
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.