CID 5746706

1-(2,6-dichlorophenyl)-4,4-dimethyl-aminoguanidine hydrochloride

Structural Information

Molecular Formula
C9H12Cl2N4
SMILES
CN(C)/C(=N\NC1=C(C=CC=C1Cl)Cl)/N
InChI
InChI=1S/C9H12Cl2N4/c1-15(2)9(12)14-13-8-6(10)4-3-5-7(8)11/h3-5,13H,1-2H3,(H2,12,14)
InChIKey
UYTBGBKACKDOSA-UHFFFAOYSA-N
Compound name
2-(2,6-dichloroanilino)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

246.0439 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.051176 156.4
[M+Na]+ 269.033118 164.1
[M-H]- 245.036624 161.8
[M+NH4]+ 264.077723 175.1
[M+K]+ 285.007058 160.3
[M+H-H2O]+ 229.041160 151.0
[M+HCOO]- 291.042101 175.8
[M+CH3COO]- 305.057751 205.6
[M+Na-2H]- 267.018566 159.8
[M]+ 246.04335142 157.9
[M]- 246.04444858 157.9
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