CID 66937013

937263-71-3

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

CC1=C(C=CC(=C1)N)OC2=CC3=NC=NN3C=C2

InChI

InChI=1S/C13H12N4O/c1-9-6-10(14)2-3-12(9)18-11-4-5-17-13(7-11)15-8-16-17/h2-8H,14H2,1H3

InChIKey

DFMSLMUVJUMZPA-UHFFFAOYSA-N

Compound name

3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 212
Patents: 240.1011 Da
Monoisotopic Mass: 2.0
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]+	241.10838	152.1
[M+Na]+	263.09032	163.5
[M-H]-	239.09382	156.6
[M+NH4]+	258.13492	168.3
[M+K]+	279.06426	158.5
[M+H-H2O]+	223.09836	142.9
[M+HCOO]-	285.09930	175.5
[M+CH3COO]-	299.11495	165.1
[M+Na-2H]-	261.07577	159.4
[M]+	240.10055	154.4
[M]-	240.10165	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe