CID 213539

Itf 1002

Structural Information

Molecular Formula
C22H24F3N3O
SMILES
C1CCN(CC1)CCCOC2=NN(C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H24F3N3O/c23-22(24,25)17-8-6-9-18(16-17)28-20-11-3-2-10-19(20)21(26-28)29-15-7-14-27-12-4-1-5-13-27/h2-3,6,8-11,16H,1,4-5,7,12-15H2
InChIKey
GOOCKQPCDXFPCD-UHFFFAOYSA-N
Compound name
3-(3-piperidin-1-ylpropoxy)-1-[3-(trifluoromethyl)phenyl]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.18713 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19441 197.5
[M+Na]+ 426.17635 204.2
[M-H]- 402.17985 199.4
[M+NH4]+ 421.22095 206.4
[M+K]+ 442.15029 196.5
[M+H-H2O]+ 386.18439 183.2
[M+HCOO]- 448.18533 209.1
[M+CH3COO]- 462.20098 204.6
[M+Na-2H]- 424.16180 198.1
[M]+ 403.18658 193.5
[M]- 403.18768 193.5
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.