CID 50522

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

Structural Information

Molecular Formula
C24H25N3O2
SMILES
COC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C24H25N3O2/c1-3-17-29-23-15-11-21(12-16-23)27-24(25-18-19-7-5-4-6-8-19)26-20-9-13-22(28-2)14-10-20/h3-16H,1,17-18H2,2H3,(H2,25,26,27)
InChIKey
VKYGBXYZEDBKTR-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19467 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 194.7
[M+Na]+ 410.18389 198.0
[M-H]- 386.18739 204.6
[M+NH4]+ 405.22849 205.1
[M+K]+ 426.15783 192.8
[M+H-H2O]+ 370.19193 183.3
[M+HCOO]- 432.19287 221.2
[M+CH3COO]- 446.20852 229.0
[M+Na-2H]- 408.16934 199.1
[M]+ 387.19412 195.5
[M]- 387.19522 195.5
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.