CID 50518

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

Structural Information

Molecular Formula
C23H23N3O
SMILES
C=CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C23H23N3O/c1-2-17-27-22-15-13-21(14-16-22)26-23(25-20-11-7-4-8-12-20)24-18-19-9-5-3-6-10-19/h2-16H,1,17-18H2,(H2,24,25,26)
InChIKey
JKBQHPPEIIBESP-UHFFFAOYSA-N
Compound name
2-benzyl-1-phenyl-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1841 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.191376 186.5
[M+Na]+ 380.173318 189.5
[M-H]- 356.176824 196.2
[M+NH4]+ 375.217923 197.9
[M+K]+ 396.147258 183.6
[M+H-H2O]+ 340.181360 175.4
[M+HCOO]- 402.182301 213.1
[M+CH3COO]- 416.197951 222.7
[M+Na-2H]- 378.158766 192.2
[M]+ 357.18355142 185.2
[M]- 357.18464858 185.2
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.