CID 5702063

Guanabenz

Structural Information

Molecular Formula
C8H8Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKey
WDZVGELJXXEGPV-YIXHJXPBSA-N
Compound name
2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1070
References

13212
Patents

230.0126 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01988 150.8
[M+Na]+ 253.00182 159.5
[M-H]- 229.00532 155.7
[M+NH4]+ 248.04642 169.9
[M+K]+ 268.97576 154.5
[M+H-H2O]+ 213.00986 145.6
[M+HCOO]- 275.01080 171.0
[M+CH3COO]- 289.02645 200.3
[M+Na-2H]- 250.98727 154.9
[M]+ 230.01205 150.8
[M]- 230.01315 150.8
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.