CID 50526

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

Structural Information

Molecular Formula
C23H22ClN3O
SMILES
C=CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H22ClN3O/c1-2-16-28-22-14-12-21(13-15-22)27-23(25-17-18-6-4-3-5-7-18)26-20-10-8-19(24)9-11-20/h2-15H,1,16-17H2,(H2,25,26,27)
InChIKey
HSKUXTFVHGBKPC-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.14514 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15242 195.8
[M+Na]+ 414.13436 200.6
[M-H]- 390.13786 205.6
[M+NH4]+ 409.17896 207.1
[M+K]+ 430.10830 193.1
[M+H-H2O]+ 374.14240 185.5
[M+HCOO]- 436.14334 217.9
[M+CH3COO]- 450.15899 227.4
[M+Na-2H]- 412.11981 200.0
[M]+ 391.14459 197.5
[M]- 391.14569 197.5
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.