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]+ 446.28020 215.5
[M+Na]+ 468.26214 227.0
[M+NH4]+ 463.30674 222.1
[M+K]+ 484.23608 218.7
[M-H]- 444.26564 223.7
[M+Na-2H]- 466.24759 224.9
[M]+ 445.27237 219.4
[M]- 445.27347 219.4
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.