CID 49907

Guanidine, 2-(2,6-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3,3-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H24Cl2N4
SMILES
CCN(CC)CCN=C(NC1=C(C=CC=C1Cl)Cl)N(C)C
InChI
InChI=1S/C15H24Cl2N4/c1-5-21(6-2)11-10-18-15(20(3)4)19-14-12(16)8-7-9-13(14)17/h7-9H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKey
RNKDNYDXMHJOFY-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13782 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14510 184.3
[M+Na]+ 353.12704 189.7
[M-H]- 329.13054 190.6
[M+NH4]+ 348.17164 200.7
[M+K]+ 369.10098 186.2
[M+H-H2O]+ 313.13508 177.4
[M+HCOO]- 375.13602 202.8
[M+CH3COO]- 389.15167 226.5
[M+Na-2H]- 351.11249 184.9
[M]+ 330.13727 190.3
[M]- 330.13837 190.3
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.