CID 3070762

4-(3-methyl-1,2,4-triazolo(4,3-b)(1,2,4)triazin-7-yl)phenol

Structural Information

Molecular Formula
C11H9N5O
SMILES
CC1=NN=C2N1N=CC(=N2)C3=CC=C(C=C3)O
InChI
InChI=1S/C11H9N5O/c1-7-14-15-11-13-10(6-12-16(7)11)8-2-4-9(17)5-3-8/h2-6,17H,1H3
InChIKey
RVBAUYQQABCZNO-UHFFFAOYSA-N
Compound name
4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.0807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 148.9
[M+Na]+ 250.06992 165.2
[M+NH4]+ 245.11452 155.8
[M+K]+ 266.04386 160.5
[M-H]- 226.07342 150.4
[M+Na-2H]- 248.05537 157.6
[M]+ 227.08015 151.6
[M]- 227.08125 151.6
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