CID 213538

Itf 1001

Structural Information

Molecular Formula
C21H22F3N3O
SMILES
C1CCN(CC1)CCOC2=NN(C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H22F3N3O/c22-21(23,24)16-7-6-8-17(15-16)27-19-10-3-2-9-18(19)20(25-27)28-14-13-26-11-4-1-5-12-26/h2-3,6-10,15H,1,4-5,11-14H2
InChIKey
YBJMYCPCHYCRRD-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethoxy)-1-[3-(trifluoromethyl)phenyl]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1715 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17878 191.8
[M+Na]+ 412.16072 202.6
[M+NH4]+ 407.20532 196.8
[M+K]+ 428.13466 196.8
[M-H]- 388.16422 191.7
[M+Na-2H]- 410.14617 197.5
[M]+ 389.17095 193.1
[M]- 389.17205 193.1
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.