CID 105266

Einecs 266-143-8

Structural Information

Molecular Formula
C12H11N5O
SMILES
COC1=CC=C(C=C1)N2N=C3C=CC(=NC3=N2)N
InChI
InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-15-10-6-7-11(13)14-12(10)16-17/h2-7H,1H3,(H2,13,14,16)
InChIKey
AVWBWRNIAZRTHF-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)triazolo[4,5-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09636 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.103636 152.5
[M+Na]+ 264.085578 164.3
[M-H]- 240.089084 155.8
[M+NH4]+ 259.130183 167.2
[M+K]+ 280.059518 159.2
[M+H-H2O]+ 224.093620 142.7
[M+HCOO]- 286.094561 174.8
[M+CH3COO]- 300.110211 165.1
[M+Na-2H]- 262.071026 160.2
[M]+ 241.09581142 154.8
[M]- 241.09690858 154.8
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.