CID 54647

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

Structural Information

Molecular Formula
C28H35N3O2
SMILES
CC(C)N(CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=C(C=C3)OC)C(C)C
InChI
InChI=1S/C28H35N3O2/c1-21(2)31(22(3)4)19-20-33-27-17-13-25(14-18-27)30-28(23-9-7-6-8-10-23)29-24-11-15-26(32-5)16-12-24/h6-18,21-22H,19-20H2,1-5H3,(H,29,30)
InChIKey
MXSFHRABTIPAHE-UHFFFAOYSA-N
Compound name
N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-(4-methoxyphenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.27292 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.280196 215.2
[M+Na]+ 468.262138 215.7
[M-H]- 444.265644 225.7
[M+NH4]+ 463.306743 223.5
[M+K]+ 484.236078 212.9
[M+H-H2O]+ 428.270180 203.0
[M+HCOO]- 490.271121 238.4
[M+CH3COO]- 504.286771 246.8
[M+Na-2H]- 466.247586 214.3
[M]+ 445.27237142 218.0
[M]- 445.27346858 218.0
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.