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: 37
Patents: 362.1242 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.131476	184.5
[M+Na]+	385.113418	196.5
[M-H]-	361.116924	186.8
[M+NH4]+	380.158023	197.9
[M+K]+	401.087358	189.9
[M+H-H2O]+	345.121460	173.2
[M+HCOO]-	407.122401	202.0
[M+CH3COO]-	421.138051	216.3
[M+Na-2H]-	383.098866	186.4
[M]+	362.12365142	187.5
[M]-	362.12474858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.