CID 118753101

Chembl3526647

Structural Information

Molecular Formula

C₁₆H₁₃FN₄O₃

SMILES

CC1=C2C(=NC=NN2C=C1O)OC3=C(C4=C(C=C3)NC(=C4)CO)F

InChI

InChI=1S/C16H13FN4O3/c1-8-12(23)5-21-15(8)16(18-7-19-21)24-13-3-2-11-10(14(13)17)4-9(6-22)20-11/h2-5,7,20,22-23H,6H2,1H3

InChIKey

ISHKPIXBYOQEOV-UHFFFAOYSA-N

Compound name

4-[[4-fluoro-2-(hydroxymethyl)-1H-indol-5-yl]oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 328.09717 Da
Monoisotopic Mass: 1.7
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]+	329.104446	172.9
[M+Na]+	351.086388	186.7
[M-H]-	327.089894	174.2
[M+NH4]+	346.130993	186.0
[M+K]+	367.060328	179.5
[M+H-H2O]+	311.094430	164.2
[M+HCOO]-	373.095371	190.1
[M+CH3COO]-	387.111021	184.0
[M+Na-2H]-	349.071836	175.6
[M]+	328.09662142	177.2
[M]-	328.09771858	177.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.