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]+ 444.264536 210.3
[M+Na]+ 466.246478 212.1
[M-H]- 442.249984 221.5
[M+NH4]+ 461.291083 218.7
[M+K]+ 482.220418 206.4
[M+H-H2O]+ 426.254520 197.7
[M+HCOO]- 488.255461 232.0
[M+CH3COO]- 502.271111 237.1
[M+Na-2H]- 464.231926 209.3
[M]+ 443.25671142 210.0
[M]- 443.25780858 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.