CID 105269

Einecs 266-150-6

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 155.2
[M+Na]+ 262.10632 167.8
[M-H]- 238.10982 158.7
[M+NH4]+ 257.15092 170.4
[M+K]+ 278.08026 161.8
[M+H-H2O]+ 222.11436 145.7
[M+HCOO]- 284.11530 177.0
[M+CH3COO]- 298.13095 167.9
[M+Na-2H]- 260.09177 161.5
[M]+ 239.11655 157.0
[M]- 239.11765 157.0
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.