CID 50520

1-(p-allyloxyphenyl)-3-benzyl-2-(p-tolyl)guanidine hydrobromide

Structural Information

Molecular Formula
C24H25N3O
SMILES
CC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C24H25N3O/c1-3-17-28-23-15-13-22(14-16-23)27-24(25-18-20-7-5-4-6-8-20)26-21-11-9-19(2)10-12-21/h3-16H,1,17-18H2,2H3,(H2,25,26,27)
InChIKey
XLMFHZKSVGTKDH-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-methylphenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19977 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20705 195.5
[M+Na]+ 394.18899 209.0
[M+NH4]+ 389.23359 203.2
[M+K]+ 410.16293 198.7
[M-H]- 370.19249 204.2
[M+Na-2H]- 392.17444 206.6
[M]+ 371.19922 199.9
[M]- 371.20032 199.9
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.