CID 3052930

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

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
COC1=CC=C(C=C1)NC(=NCCC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C25H26ClN3O2/c1-3-18-31-24-14-10-22(11-15-24)29-25(28-21-8-12-23(30-2)13-9-21)27-17-16-19-4-6-20(26)7-5-19/h3-15H,1,16-18H2,2H3,(H2,27,28,29)
InChIKey
BJEDEVMRDVBKMI-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17136 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17864 209.9
[M+Na]+ 458.16058 224.0
[M+NH4]+ 453.20518 217.1
[M+K]+ 474.13452 213.1
[M-H]- 434.16408 218.1
[M+Na-2H]- 456.14603 220.0
[M]+ 435.17081 214.5
[M]- 435.17191 214.5
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.