CID 46883775

Arry-797

Structural Information

Molecular Formula
C22H26F2N4O2
SMILES
CC(C)CN1C2=CC(=C(C=C2C=N1)OC3=C(C=C(C=C3)F)F)C(=O)NCCN(C)C
InChI
InChI=1S/C22H26F2N4O2/c1-14(2)13-28-19-11-17(22(29)25-7-8-27(3)4)21(9-15(19)12-26-28)30-20-6-5-16(23)10-18(20)24/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,29)
InChIKey
IFGWYHGYNVGVRB-UHFFFAOYSA-N
Compound name
5-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)indazole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

2441
Patents

416.2024 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20968 201.1
[M+Na]+ 439.19162 208.8
[M-H]- 415.19512 205.6
[M+NH4]+ 434.23622 212.0
[M+K]+ 455.16556 204.2
[M+H-H2O]+ 399.19966 189.2
[M+HCOO]- 461.20060 221.0
[M+CH3COO]- 475.21625 237.1
[M+Na-2H]- 437.17707 199.7
[M]+ 416.20185 205.5
[M]- 416.20295 205.5
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