CID 50534

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

Structural Information

Molecular Formula
C24H23BrClN3O
SMILES
C=CCOC1=CC=C(C=C1)NC(=NCCC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H23BrClN3O/c1-2-17-30-23-13-11-22(12-14-23)29-24(28-21-9-5-19(25)6-10-21)27-16-15-18-3-7-20(26)8-4-18/h2-14H,1,15-17H2,(H2,27,28,29)
InChIKey
BYOUTOCTWLCYPR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-[2-(4-chlorophenyl)ethyl]-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.0713 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.07858 208.6
[M+Na]+ 506.06052 216.1
[M-H]- 482.06402 220.1
[M+NH4]+ 501.10512 220.2
[M+K]+ 522.03446 200.5
[M+H-H2O]+ 466.06856 203.9
[M+HCOO]- 528.06950 227.3
[M+CH3COO]- 542.08515 237.8
[M+Na-2H]- 504.04597 212.0
[M]+ 483.07075 228.9
[M]- 483.07185 228.9
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.