CID 6413027

Nsc698032

Structural Information

Molecular Formula
C12H10Cl2N4
SMILES
CC1=C(N=C(N=N1)N)/C=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N4/c1-7-11(16-12(15)18-17-7)5-3-8-2-4-9(13)6-10(8)14/h2-6H,1H3,(H2,15,16,18)/b5-3+
InChIKey
LLDGBIJHYFKKBZ-HWKANZROSA-N
Compound name
5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.02826 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03554 160.9
[M+Na]+ 303.01748 172.6
[M-H]- 279.02098 162.8
[M+NH4]+ 298.06208 174.1
[M+K]+ 318.99142 164.7
[M+H-H2O]+ 263.02552 152.4
[M+HCOO]- 325.02646 172.4
[M+CH3COO]- 339.04211 172.0
[M+Na-2H]- 301.00293 165.1
[M]+ 280.02771 162.8
[M]- 280.02881 162.8
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

No patent data available for this compound.