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]+ 242.10364 152.5
[M+Na]+ 264.08558 164.3
[M-H]- 240.08908 155.8
[M+NH4]+ 259.13018 167.2
[M+K]+ 280.05952 159.2
[M+H-H2O]+ 224.09362 142.7
[M+HCOO]- 286.09456 174.8
[M+CH3COO]- 300.11021 165.1
[M+Na-2H]- 262.07103 160.2
[M]+ 241.09581 154.8
[M]- 241.09691 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.