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 210.3
[M+Na]+ 466.24648 212.1
[M-H]- 442.24998 221.5
[M+NH4]+ 461.29108 218.7
[M+K]+ 482.22042 206.4
[M+H-H2O]+ 426.25452 197.7
[M+HCOO]- 488.25546 232.0
[M+CH3COO]- 502.27111 237.1
[M+Na-2H]- 464.23193 209.3
[M]+ 443.25671 210.0
[M]- 443.25781 210.0
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.