CID 54655

Benzamidine, n'-(3,4-dichlorophenyl)-n-(p-(2-(diisopropylamino)ethoxy)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C27H31Cl2N3O
SMILES
CC(C)N(CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC(=C(C=C3)Cl)Cl)C(C)C
InChI
InChI=1S/C27H31Cl2N3O/c1-19(2)32(20(3)4)16-17-33-24-13-10-22(11-14-24)30-27(21-8-6-5-7-9-21)31-23-12-15-25(28)26(29)18-23/h5-15,18-20H,16-17H2,1-4H3,(H,30,31)
InChIKey
YCHDAUGVHFGKKT-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-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

483.18442 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.19170 222.1
[M+Na]+ 506.17364 236.1
[M+NH4]+ 501.21824 229.8
[M+K]+ 522.14758 225.7
[M-H]- 482.17714 230.5
[M+Na-2H]- 504.15909 231.5
[M]+ 483.18387 227.2
[M]- 483.18497 227.2
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.