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 208.1
[M+Na]+ 458.16058 212.7
[M-H]- 434.16408 217.9
[M+NH4]+ 453.20518 217.7
[M+K]+ 474.13452 205.7
[M+H-H2O]+ 418.16862 197.3
[M+HCOO]- 480.16956 229.6
[M+CH3COO]- 494.18521 236.5
[M+Na-2H]- 456.14603 210.5
[M]+ 435.17081 212.2
[M]- 435.17191 212.2
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.