CID 3067070

N'-(p-methoxyphenyl)-n-(p-(3-pyrrolidinylpropoxy)phenyl)-p-toluamidine dihydrobromide

Structural Information

Molecular Formula
C28H33N3O2
SMILES
CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)OCCCN3CCCC3)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C28H33N3O2/c1-22-6-8-23(9-7-22)28(29-24-10-14-26(32-2)15-11-24)30-25-12-16-27(17-13-25)33-21-5-20-31-18-3-4-19-31/h6-17H,3-5,18-21H2,1-2H3,(H,29,30)
InChIKey
KQGOLEVSPALUBO-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-4-methyl-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.25726 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.26454 214.7
[M+Na]+ 466.24648 227.3
[M+NH4]+ 461.29108 221.8
[M+K]+ 482.22042 219.2
[M-H]- 442.24998 223.5
[M+Na-2H]- 464.23193 224.5
[M]+ 443.25671 218.9
[M]- 443.25781 218.9
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.