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]+ 358.19138 186.5
[M+Na]+ 380.17332 189.5
[M-H]- 356.17682 196.2
[M+NH4]+ 375.21792 197.9
[M+K]+ 396.14726 183.6
[M+H-H2O]+ 340.18136 175.4
[M+HCOO]- 402.18230 213.1
[M+CH3COO]- 416.19795 222.7
[M+Na-2H]- 378.15877 192.2
[M]+ 357.18355 185.2
[M]- 357.18465 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.