CID 105269

66104-44-7

Structural Information

Molecular Formula
C13H13N5
SMILES
CC1=C(C=C(C=C1)N2N=C3C=CC(=NC3=N2)N)C
InChI
InChI=1S/C13H13N5/c1-8-3-4-10(7-9(8)2)18-16-11-5-6-12(14)15-13(11)17-18/h3-7H,1-2H3,(H2,14,15,17)
InChIKey
QXPMCNRWQKGBQJ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylphenyl)triazolo[4,5-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1171 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12438 153.4
[M+Na]+ 262.10632 169.5
[M+NH4]+ 257.15092 161.2
[M+K]+ 278.08026 164.1
[M-H]- 238.10982 156.9
[M+Na-2H]- 260.09177 162.2
[M]+ 239.11655 156.8
[M]- 239.11765 156.8
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.