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 191.8
[M+Na]+ 394.18899 195.3
[M-H]- 370.19249 201.8
[M+NH4]+ 389.23359 202.9
[M+K]+ 410.16293 189.3
[M+H-H2O]+ 354.19703 180.7
[M+HCOO]- 416.19797 218.1
[M+CH3COO]- 430.21362 226.9
[M+Na-2H]- 392.17444 196.1
[M]+ 371.19922 191.2
[M]- 371.20032 191.2
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.