CID 50532

Guanidine, 1-(p-allyloxyphenyl)-3-(p-chlorophenethyl)-2-(p-chlorophenyl)-, hydrobromide

Structural Information

Molecular Formula
C24H23Cl2N3O
SMILES
C=CCOC1=CC=C(C=C1)NC(=NCCC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H23Cl2N3O/c1-2-17-30-23-13-11-22(12-14-23)29-24(28-21-9-7-20(26)8-10-21)27-16-15-18-3-5-19(25)6-4-18/h2-14H,1,15-17H2,(H2,27,28,29)
InChIKey
APWYXZPLQISOHB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.12183 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.12911 209.0
[M+Na]+ 462.11105 224.3
[M+NH4]+ 457.15565 217.0
[M+K]+ 478.08499 212.4
[M-H]- 438.11455 217.4
[M+Na-2H]- 460.09650 219.5
[M]+ 439.12128 214.3
[M]- 439.12238 214.3
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.