CID 33146

1-benzyl-3-(2-chlorobenzyl)guanidine hydroiodide

Structural Information

Molecular Formula
C15H16ClN3
SMILES
C1=CC=C(C=C1)CN=C(N)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C15H16ClN3/c16-14-9-5-4-8-13(14)11-19-15(17)18-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19)
InChIKey
MBEBQRJNWJHMIY-UHFFFAOYSA-N
Compound name
2-benzyl-1-[(2-chlorophenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.10327 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.110546 163.5
[M+Na]+ 296.092488 169.5
[M-H]- 272.095994 170.5
[M+NH4]+ 291.137093 179.8
[M+K]+ 312.066428 163.7
[M+H-H2O]+ 256.100530 155.7
[M+HCOO]- 318.101471 186.1
[M+CH3COO]- 332.117121 205.3
[M+Na-2H]- 294.077936 169.0
[M]+ 273.10272142 162.9
[M]- 273.10381858 162.9
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

No patent data available for this compound.