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]+ 228.087976 150.1
[M+Na]+ 250.069918 162.9
[M-H]- 226.073424 151.3
[M+NH4]+ 245.114523 163.9
[M+K]+ 266.043858 157.2
[M+H-H2O]+ 210.077960 140.3
[M+HCOO]- 272.078901 169.3
[M+CH3COO]- 286.094551 162.4
[M+Na-2H]- 248.055366 158.0
[M]+ 227.08015142 152.4
[M]- 227.08124858 152.4
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