CID 3044235

2-chloro-4,5-dimethoxyphenylbiguanide

Structural Information

Molecular Formula

C₁₀H₁₄ClN₅O₂

SMILES

COC1=C(C=C(C(=C1)N(C(=N)N)C(=N)N)Cl)OC

InChI

InChI=1S/C10H14ClN5O2/c1-17-7-3-5(11)6(4-8(7)18-2)16(9(12)13)10(14)15/h3-4H,1-2H3,(H3,12,13)(H3,14,15)

InChIKey

KYLXXWGGZVNJTE-UHFFFAOYSA-N

Compound name

1-carbamimidoyl-1-(2-chloro-4,5-dimethoxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.0836 Da
Monoisotopic Mass: 0.7
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]+	272.090876	162.4
[M+Na]+	294.072818	168.8
[M-H]-	270.076324	167.1
[M+NH4]+	289.117423	178.4
[M+K]+	310.046758	166.8
[M+H-H2O]+	254.080860	155.8
[M+HCOO]-	316.081801	185.2
[M+CH3COO]-	330.097451	212.7
[M+Na-2H]-	292.058266	163.2
[M]+	271.08305142	161.5
[M]-	271.08414858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.