CID 18329573

252186-79-1

Structural Information

Molecular Formula
C16H9Cl4N5O
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)NC(=O)C3=C(C(=CC=C3)Cl)Cl)N
InChI
InChI=1S/C16H9Cl4N5O/c17-9-5-1-3-7(11(9)19)13-14(21)22-16(25-24-13)23-15(26)8-4-2-6-10(18)12(8)20/h1-6H,(H3,21,22,23,25,26)
InChIKey
RDUGDEWOUWFKPL-UHFFFAOYSA-N
Compound name
N-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,3-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

426.95612 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.96340 195.2
[M+Na]+ 449.94534 212.1
[M+NH4]+ 444.98994 201.6
[M+K]+ 465.91928 202.7
[M-H]- 425.94884 199.6
[M+Na-2H]- 447.93079 203.6
[M]+ 426.95557 200.0
[M]- 426.95667 200.0
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