CID 210681

21487-13-8

Structural Information

Molecular Formula
C20H22F3N3O
SMILES
CCN(CC)CCOC1=NN(C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H22F3N3O/c1-3-25(4-2)12-13-27-19-17-10-5-6-11-18(17)26(24-19)16-9-7-8-15(14-16)20(21,22)23/h5-11,14H,3-4,12-13H2,1-2H3
InChIKey
OFLRFYYBWODTDA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[1-[3-(trifluoromethyl)phenyl]indazol-3-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1715 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17878 189.7
[M+Na]+ 400.16072 198.4
[M-H]- 376.16422 192.4
[M+NH4]+ 395.20532 202.3
[M+K]+ 416.13466 192.9
[M+H-H2O]+ 360.16876 177.2
[M+HCOO]- 422.16970 208.1
[M+CH3COO]- 436.18535 223.8
[M+Na-2H]- 398.14617 192.3
[M]+ 377.17095 192.1
[M]- 377.17205 192.1
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.