CID 501349

2,4-difluoro-n-(1h-6-indazolyl)-5-((2-pyridyl)methyl)aminobenzamide

Structural Information

Molecular Formula
C20H15F2N5O
SMILES
C1=CC=NC(=C1)CNC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)F)F
InChI
InChI=1S/C20H15F2N5O/c21-16-9-17(22)19(24-11-14-3-1-2-6-23-14)8-15(16)20(28)26-13-5-4-12-10-25-27-18(12)7-13/h1-10,24H,11H2,(H,25,27)(H,26,28)
InChIKey
FWZXTLSVFLBBLJ-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-(pyridin-2-ylmethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13176 184.6
[M+Na]+ 402.11370 193.6
[M-H]- 378.11720 188.6
[M+NH4]+ 397.15830 193.6
[M+K]+ 418.08764 185.0
[M+H-H2O]+ 362.12174 171.9
[M+HCOO]- 424.12268 204.0
[M+CH3COO]- 438.13833 193.5
[M+Na-2H]- 400.09915 189.2
[M]+ 379.12393 182.4
[M]- 379.12503 182.4
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.