CID 3054649

Brn 3011646

Structural Information

Molecular Formula
C24H23Cl2NO2
SMILES
CCC(C)(C(=O)NC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H23Cl2NO2/c1-3-24(2,23(28)27-21-12-10-20(26)11-13-21)29-22-14-6-18(7-15-22)16-17-4-8-19(25)9-5-17/h4-15H,3,16H2,1-2H3,(H,27,28)
InChIKey
AFDBILCNMFKCRM-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1106 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11788 202.3
[M+Na]+ 450.09982 209.2
[M-H]- 426.10332 210.7
[M+NH4]+ 445.14442 213.0
[M+K]+ 466.07376 201.5
[M+H-H2O]+ 410.10786 193.7
[M+HCOO]- 472.10880 213.9
[M+CH3COO]- 486.12445 227.3
[M+Na-2H]- 448.08527 204.0
[M]+ 427.11005 207.6
[M]- 427.11115 207.6
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.