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]+ 484.19170 221.2
[M+Na]+ 506.17364 224.8
[M-H]- 482.17714 231.3
[M+NH4]+ 501.21824 230.1
[M+K]+ 522.14758 218.6
[M+H-H2O]+ 466.18168 211.1
[M+HCOO]- 528.18262 235.2
[M+CH3COO]- 542.19827 249.7
[M+Na-2H]- 504.15909 218.8
[M]+ 483.18387 227.4
[M]- 483.18497 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.