CID 50524

N-(p-ethoxyphenyl)-n'-(p-allyloxyphenyl)-n''-benzyl guanidine hydrobromide

Structural Information

Molecular Formula
C25H27N3O2
SMILES
CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C25H27N3O2/c1-3-18-30-24-16-12-22(13-17-24)28-25(26-19-20-8-6-5-7-9-20)27-21-10-14-23(15-11-21)29-4-2/h3,5-17H,1,4,18-19H2,2H3,(H2,26,27,28)
InChIKey
DQNAZUKLIPKHQP-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-ethoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21033 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 199.1
[M+Na]+ 424.19955 201.9
[M-H]- 400.20305 208.8
[M+NH4]+ 419.24415 208.8
[M+K]+ 440.17349 196.4
[M+H-H2O]+ 384.20759 187.4
[M+HCOO]- 446.20853 225.1
[M+CH3COO]- 460.22418 231.9
[M+Na-2H]- 422.18500 202.9
[M]+ 401.20978 200.1
[M]- 401.21088 200.1
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.