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

194
Patents

240.1011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.