CID 54653

Benzamidine, n'-(p-chlorophenyl)-n-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C28H34ClN3O
SMILES
CC(C)N(CCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H34ClN3O/c1-21(2)32(22(3)4)19-8-20-33-27-17-15-26(16-18-27)31-28(23-9-6-5-7-10-23)30-25-13-11-24(29)12-14-25/h5-7,9-18,21-22H,8,19-20H2,1-4H3,(H,30,31)
InChIKey
LUQFRTBYORLDID-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-N-[4-[3-[di(propan-2-yl)amino]propoxy]phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.23904 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.24632 219.6
[M+Na]+ 486.22826 221.2
[M-H]- 462.23176 229.9
[M+NH4]+ 481.27286 228.3
[M+K]+ 502.20220 215.9
[M+H-H2O]+ 446.23630 208.4
[M+HCOO]- 508.23724 238.2
[M+CH3COO]- 522.25289 248.0
[M+Na-2H]- 484.21371 218.1
[M]+ 463.23849 223.9
[M]- 463.23959 223.9
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.