CID 10364826

N-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide

Structural Information

Molecular Formula
C24H25FN4O2
SMILES
COC1CCC(CC1)C(=O)NC2=NC=CC(=C2)C3=CC(=NC=C3)NC4=CC=C(C=C4)F
InChI
InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)
InChIKey
ACGBFWCBVIXTPZ-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-fluoroanilino)pyridin-4-yl]pyridin-2-yl]-4-methoxycyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

420.19617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20345 201.1
[M+Na]+ 443.18539 204.4
[M-H]- 419.18889 208.5
[M+NH4]+ 438.22999 206.5
[M+K]+ 459.15933 197.8
[M+H-H2O]+ 403.19343 187.0
[M+HCOO]- 465.19437 217.8
[M+CH3COO]- 479.21002 207.7
[M+Na-2H]- 441.17084 202.5
[M]+ 420.19562 195.5
[M]- 420.19672 195.5
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