CID 9571057

Nebidrazine

Structural Information

Molecular Formula
C9H8Cl2N6
SMILES
C1=CC(=C(C(=C1)Cl)/C=N/NC2=NN=CN2N)Cl
InChI
InChI=1S/C9H8Cl2N6/c10-7-2-1-3-8(11)6(7)4-13-15-9-16-14-5-17(9)12/h1-5H,12H2,(H,15,16)/b13-4+
InChIKey
KHCYGOIWSWLPNL-YIXHJXPBSA-N
Compound name
3-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

88
Patents

270.01874 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.026016 157.9
[M+Na]+ 293.007958 168.3
[M-H]- 269.011464 161.3
[M+NH4]+ 288.052563 172.9
[M+K]+ 308.981898 162.1
[M+H-H2O]+ 253.016000 148.7
[M+HCOO]- 315.016941 174.6
[M+CH3COO]- 329.032591 169.5
[M+Na-2H]- 290.993406 162.9
[M]+ 270.01819142 159.4
[M]- 270.01928858 159.4
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