CID 3054503

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C11H9N5O
SMILES
COC1=CC=C(C=C1)C2=NC3=NN=CN3N=C2
InChI
InChI=1S/C11H9N5O/c1-17-9-4-2-8(3-5-9)10-6-13-16-7-12-15-11(16)14-10/h2-7H,1H3
InChIKey
XFIVBCBTECXSMA-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.0807 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 148.8
[M+Na]+ 250.06992 160.9
[M-H]- 226.07342 150.7
[M+NH4]+ 245.11452 162.8
[M+K]+ 266.04386 156.2
[M+H-H2O]+ 210.07796 138.2
[M+HCOO]- 272.07890 169.4
[M+CH3COO]- 286.09455 161.3
[M+Na-2H]- 248.05537 157.8
[M]+ 227.08015 152.3
[M]- 227.08125 152.3
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

patents stripe