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]+ 274.11055 163.5
[M+Na]+ 296.09249 169.5
[M-H]- 272.09599 170.5
[M+NH4]+ 291.13709 179.8
[M+K]+ 312.06643 163.7
[M+H-H2O]+ 256.10053 155.7
[M+HCOO]- 318.10147 186.1
[M+CH3COO]- 332.11712 205.3
[M+Na-2H]- 294.07794 169.0
[M]+ 273.10272 162.9
[M]- 273.10382 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.