CID 50528

1-(p-allyloxyphenyl)-3-(p-chlorophenethyl)-2-phenylguanidine hydrobromide

Structural Information

Molecular Formula
C24H24ClN3O
SMILES
C=CCOC1=CC=C(C=C1)NC(=NCCC2=CC=C(C=C2)Cl)NC3=CC=CC=C3
InChI
InChI=1S/C24H24ClN3O/c1-2-18-29-23-14-12-22(13-15-23)28-24(27-21-6-4-3-5-7-21)26-17-16-19-8-10-20(25)11-9-19/h2-15H,1,16-18H2,(H2,26,27,28)
InChIKey
FYNWMRZYVJIDIT-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)ethyl]-1-phenyl-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1608 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16808 200.2
[M+Na]+ 428.15002 204.6
[M-H]- 404.15352 209.8
[M+NH4]+ 423.19462 210.9
[M+K]+ 444.12396 196.8
[M+H-H2O]+ 388.15806 189.7
[M+HCOO]- 450.15900 221.9
[M+CH3COO]- 464.17465 230.3
[M+Na-2H]- 426.13547 203.8
[M]+ 405.16025 202.2
[M]- 405.16135 202.2
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.