CID 3070768

86870-09-9

Structural Information

Molecular Formula
C17H11Cl2N5
SMILES
CC1=NN=C2N1N=C(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11Cl2N5/c1-10-21-22-17-20-15(11-2-6-13(18)7-3-11)16(23-24(10)17)12-4-8-14(19)9-5-12/h2-9H,1H3
InChIKey
GPYBDZIRNVCRQB-UHFFFAOYSA-N
Compound name
6,7-bis(4-chlorophenyl)-3-methyl-[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

355.03915 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04643 180.4
[M+Na]+ 378.02837 194.4
[M-H]- 354.03187 184.4
[M+NH4]+ 373.07297 190.5
[M+K]+ 394.00231 185.0
[M+H-H2O]+ 338.03641 167.9
[M+HCOO]- 400.03735 189.5
[M+CH3COO]- 414.05300 190.6
[M+Na-2H]- 376.01382 184.4
[M]+ 355.03860 185.9
[M]- 355.03970 185.9
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