CID 49911

Guanidine, 1-(p-chlorophenyl)-2-(2,6-dichlorophenyl)-3,3-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H14Cl3N3
SMILES
CN(C)C(=NC1=C(C=CC=C1Cl)Cl)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14Cl3N3/c1-21(2)15(19-11-8-6-10(16)7-9-11)20-14-12(17)4-3-5-13(14)18/h3-9H,1-2H3,(H,19,20)
InChIKey
ZGPJVXZJQKBBME-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.02533 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03261 178.9
[M+Na]+ 364.01455 187.2
[M-H]- 340.01805 186.2
[M+NH4]+ 359.05915 194.5
[M+K]+ 379.98849 181.2
[M+H-H2O]+ 324.02259 172.7
[M+HCOO]- 386.02353 191.8
[M+CH3COO]- 400.03918 219.5
[M+Na-2H]- 362.00000 180.9
[M]+ 341.02478 183.1
[M]- 341.02588 183.1
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.