CID 158450

84596-57-6

Structural Information

Molecular Formula
C21H16ClF2N3O2
SMILES
CC1=CC(=NC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)NC(=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C21H16ClF2N3O2/c1-11-10-17(25-12(2)18(11)13-6-8-14(22)9-7-13)26-21(29)27-20(28)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H2,25,26,27,28,29)
InChIKey
OMTGAKYMMAWHHG-UHFFFAOYSA-N
Compound name
N-[[5-(4-chlorophenyl)-4,6-dimethylpyridin-2-yl]carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

415.0899 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09718 196.8
[M+Na]+ 438.07912 206.2
[M-H]- 414.08262 203.3
[M+NH4]+ 433.12372 206.4
[M+K]+ 454.05306 198.8
[M+H-H2O]+ 398.08716 185.4
[M+HCOO]- 460.08810 212.8
[M+CH3COO]- 474.10375 230.0
[M+Na-2H]- 436.06457 196.1
[M]+ 415.08935 197.7
[M]- 415.09045 197.7
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