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

1598
Patents

416.2024 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.209676 201.1
[M+Na]+ 439.191618 208.8
[M-H]- 415.195124 205.6
[M+NH4]+ 434.236223 212.0
[M+K]+ 455.165558 204.2
[M+H-H2O]+ 399.199660 189.2
[M+HCOO]- 461.200601 221.0
[M+CH3COO]- 475.216251 237.1
[M+Na-2H]- 437.177066 199.7
[M]+ 416.20185142 205.5
[M]- 416.20294858 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