CID 210682

Itf 621

Structural Information

Molecular Formula
C19H20F3N3O
SMILES
CN(C)CCCOC1=NN(C2=CC=CC=C21)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3N3O/c1-24(2)11-6-12-26-18-16-9-3-4-10-17(16)25(23-18)15-8-5-7-14(13-15)19(20,21)22/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKey
BATZBGZJQAONHT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]indazol-3-yl]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.15585 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16313 185.0
[M+Na]+ 386.14507 194.2
[M-H]- 362.14857 187.9
[M+NH4]+ 381.18967 198.2
[M+K]+ 402.11901 188.9
[M+H-H2O]+ 346.15311 172.8
[M+HCOO]- 408.15405 203.8
[M+CH3COO]- 422.16970 220.9
[M+Na-2H]- 384.13052 188.2
[M]+ 363.15530 187.1
[M]- 363.15640 187.1
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.