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]+ 436.10192 196.8
[M+Na]+ 458.08386 200.8
[M+NH4]+ 453.12846 200.9
[M+K]+ 474.05780 197.1
[M-H]- 434.08736 202.9
[M+Na-2H]- 456.06931 203.8
[M]+ 435.09409 198.0
[M]- 435.09519 198.0
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.