CID 3070755

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

Structural Information

Molecular Formula
C13H11Cl2N5
SMILES
CC(C)C1=NN=C2N1N=CC(=N2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H11Cl2N5/c1-7(2)12-18-19-13-17-11(6-16-20(12)13)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3
InChIKey
IHBLFZWKCKNBMZ-UHFFFAOYSA-N
Compound name
7-(3,4-dichlorophenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.03915 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04643 165.7
[M+Na]+ 330.02837 179.1
[M-H]- 306.03187 166.7
[M+NH4]+ 325.07297 178.1
[M+K]+ 346.00231 171.7
[M+H-H2O]+ 290.03641 155.1
[M+HCOO]- 352.03735 174.2
[M+CH3COO]- 366.05300 176.6
[M+Na-2H]- 328.01382 169.6
[M]+ 307.03860 171.4
[M]- 307.03970 171.4
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