CID 11656215

Schembl2686002

Structural Information

Molecular Formula
C22H17Cl2F3N4O2
SMILES
CNC(=O)CN(C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)Cl)C3=C(C=CC=N3)Cl
InChI
InChI=1S/C22H17Cl2F3N4O2/c1-28-19(32)12-31(20-17(24)3-2-10-29-20)18-11-13(4-9-16(18)23)21(33)30-15-7-5-14(6-8-15)22(25,26)27/h2-11H,12H2,1H3,(H,28,32)(H,30,33)
InChIKey
OGONHQFOPUHELI-UHFFFAOYSA-N
Compound name
4-chloro-3-[(3-chloropyridin-2-yl)-[2-(methylamino)-2-oxoethyl]amino]-N-[4-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

496.06805 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.07533 202.4
[M+Na]+ 519.05727 212.2
[M+NH4]+ 514.10187 205.9
[M+K]+ 535.03121 206.3
[M-H]- 495.06077 203.5
[M+Na-2H]- 517.04272 209.1
[M]+ 496.06750 204.3
[M]- 496.06860 204.3
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