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: 512
References: 12517
Patents: 230.0126 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe