CID 11660520

Sga360

Structural Information

Molecular Formula
C19H17F3N2O2
SMILES
COC1=CC(=C(C=C1)C2=NN(C3=C2C=CC=C3C(F)(F)F)CC=C)OC
InChI
InChI=1S/C19H17F3N2O2/c1-4-10-24-18-14(6-5-7-15(18)19(20,21)22)17(23-24)13-9-8-12(25-2)11-16(13)26-3/h4-9,11H,1,10H2,2-3H3
InChIKey
BMIOASGFHBRKJL-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

362.1242 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13148 186.5
[M+Na]+ 385.11342 198.0
[M+NH4]+ 380.15802 190.9
[M+K]+ 401.08736 192.7
[M-H]- 361.11692 184.6
[M+Na-2H]- 383.09887 190.7
[M]+ 362.12365 187.4
[M]- 362.12475 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe