CID 54623

Benzamidine, n'-benzyl-n-(p-(2-(diisopropylamino)ethoxy)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C28H35N3O
SMILES
CC(C)N(CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H35N3O/c1-22(2)31(23(3)4)19-20-32-27-17-15-26(16-18-27)30-28(25-13-9-6-10-14-25)29-21-24-11-7-5-8-12-24/h5-18,22-23H,19-21H2,1-4H3,(H,29,30)
InChIKey
KBRWWPRERJKISB-UHFFFAOYSA-N
Compound name
N'-benzyl-N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.278 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.28528 212.9
[M+Na]+ 452.26722 224.5
[M+NH4]+ 447.31182 220.0
[M+K]+ 468.24116 215.4
[M-H]- 428.27072 221.4
[M+Na-2H]- 450.25267 222.8
[M]+ 429.27745 216.9
[M]- 429.27855 216.9
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.