CID 25191023

Luf6096

Structural Information

Molecular Formula
C22H21Cl2N3O
SMILES
C1CCC(CC1)C(=O)NC2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H21Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)
InChIKey
UWEIQVQNNLVOEI-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

413.10617 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11345 197.3
[M+Na]+ 436.09539 213.1
[M+NH4]+ 431.13999 206.4
[M+K]+ 452.06933 202.3
[M-H]- 412.09889 205.2
[M+Na-2H]- 434.08084 206.6
[M]+ 413.10562 202.5
[M]- 413.10672 202.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe