CID 50522

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

Structural Information

Molecular Formula
C24H25N3O2
SMILES
COC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C24H25N3O2/c1-3-17-29-23-15-11-21(12-16-23)27-24(25-18-19-7-5-4-6-8-19)26-20-9-13-22(28-2)14-10-20/h3-16H,1,17-18H2,2H3,(H2,25,26,27)
InChIKey
VKYGBXYZEDBKTR-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19467 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 198.5
[M+Na]+ 410.18389 211.5
[M+NH4]+ 405.22849 205.5
[M+K]+ 426.15783 201.7
[M-H]- 386.18739 206.7
[M+Na-2H]- 408.16934 209.2
[M]+ 387.19412 202.6
[M]- 387.19522 202.6
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.