CID 3052928

Guanidine, 1-(p-allyloxyphenyl)-3-benzyl-2-(p-bromophenyl)-, hydrobromide

Structural Information

Molecular Formula
C23H22BrN3O
SMILES
C=CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H22BrN3O/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
AWIKNYDBRXRCHA-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-bromophenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.09464 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.101916 196.9
[M+Na]+ 458.083858 202.9
[M-H]- 434.087364 208.4
[M+NH4]+ 453.128463 209.1
[M+K]+ 474.057798 189.1
[M+H-H2O]+ 418.091900 191.7
[M+HCOO]- 480.092841 220.3
[M+CH3COO]- 494.108491 230.8
[M+Na-2H]- 456.069306 202.0
[M]+ 435.09409142 214.1
[M]- 435.09518858 214.1
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.