CID 3039152

Brn 2790715

Structural Information

Molecular Formula
C23H28Cl2N2O2
SMILES
CCCCC(CC)(C(=O)NC1=C(C(=CC=C1)Cl)C)C(=O)NC2=C(C(=CC=C2)Cl)C
InChI
InChI=1S/C23H28Cl2N2O2/c1-5-7-14-23(6-2,21(28)26-19-12-8-10-17(24)15(19)3)22(29)27-20-13-9-11-18(25)16(20)4/h8-13H,5-7,14H2,1-4H3,(H,26,28)(H,27,29)
InChIKey
VFZISRQPSYXJLJ-UHFFFAOYSA-N
Compound name
2-butyl-N,N'-bis(3-chloro-2-methylphenyl)-2-ethylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.15277 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16005 206.3
[M+Na]+ 457.14199 212.6
[M-H]- 433.14549 212.0
[M+NH4]+ 452.18659 217.4
[M+K]+ 473.11593 205.4
[M+H-H2O]+ 417.15003 199.5
[M+HCOO]- 479.15097 217.4
[M+CH3COO]- 493.16662 234.2
[M+Na-2H]- 455.12744 204.8
[M]+ 434.15222 212.1
[M]- 434.15332 212.1
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.