CID 3054503

71347-43-8

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]+ 228.087976 148.8
[M+Na]+ 250.069918 160.9
[M-H]- 226.073424 150.7
[M+NH4]+ 245.114523 162.8
[M+K]+ 266.043858 156.2
[M+H-H2O]+ 210.077960 138.2
[M+HCOO]- 272.078901 169.4
[M+CH3COO]- 286.094551 161.3
[M+Na-2H]- 248.055366 157.8
[M]+ 227.08015142 152.3
[M]- 227.08124858 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