CID 501348

Schembl7256998

Structural Information

Molecular Formula
C20H15F2N5O
SMILES
C1=CC=NC(=C1)CNC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)NN=C4)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)26-13-4-5-18-12(7-13)10-25-27-18/h1-10,24H,11H2,(H,25,27)(H,26,28)
InChIKey
VIRYQLUVEBWQCD-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-5-yl)-5-(pyridin-2-ylmethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe