CID 49909

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

Structural Information

Molecular Formula
C16H17Cl2N3O
SMILES
CN(C)C(=NC1=C(C=CC=C1Cl)Cl)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H17Cl2N3O/c1-21(2)16(19-11-7-9-12(22-3)10-8-11)20-15-13(17)5-4-6-14(15)18/h4-10H,1-3H3,(H,19,20)
InChIKey
XPIGIGQAXLYFRU-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.07486 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08214 179.2
[M+Na]+ 360.06408 187.1
[M-H]- 336.06758 188.0
[M+NH4]+ 355.10868 195.0
[M+K]+ 376.03802 182.3
[M+H-H2O]+ 320.07212 172.0
[M+HCOO]- 382.07306 197.7
[M+CH3COO]- 396.08871 220.0
[M+Na-2H]- 358.04953 182.0
[M]+ 337.07431 184.8
[M]- 337.07541 184.8
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.