CID 210680

21487-12-7

Structural Information

Molecular Formula
C18H18F3N3O
SMILES
CN(C)CCOC1=NN(C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H18F3N3O/c1-23(2)10-11-25-17-15-8-3-4-9-16(15)24(22-17)14-7-5-6-13(12-14)18(19,20)21/h3-9,12H,10-11H2,1-2H3
InChIKey
PZVXOQBSEVRLKE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]indazol-3-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14748 180.3
[M+Na]+ 372.12942 190.0
[M-H]- 348.13292 183.4
[M+NH4]+ 367.17402 194.1
[M+K]+ 388.10336 184.9
[M+H-H2O]+ 332.13746 168.3
[M+HCOO]- 394.13840 199.4
[M+CH3COO]- 408.15405 217.9
[M+Na-2H]- 370.11487 184.1
[M]+ 349.13965 182.1
[M]- 349.14075 182.1
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.