CID 54655

80785-16-6

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]+ 484.191696 221.2
[M+Na]+ 506.173638 224.8
[M-H]- 482.177144 231.3
[M+NH4]+ 501.218243 230.1
[M+K]+ 522.147578 218.6
[M+H-H2O]+ 466.181680 211.1
[M+HCOO]- 528.182621 235.2
[M+CH3COO]- 542.198271 249.7
[M+Na-2H]- 504.159086 218.8
[M]+ 483.18387142 227.4
[M]- 483.18496858 227.4
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.