CID 3018574

2-(4-chloro-2-tetradecylphenoxy)-n-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide

Structural Information

Molecular Formula
C29H40Cl3NO3
SMILES
CCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC(=C(C(=C2O)Cl)C)Cl
InChI
InChI=1S/C29H40Cl3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-18-23(30)16-17-26(22)36-20-27(34)33-25-19-24(31)21(2)28(32)29(25)35/h16-19,35H,3-15,20H2,1-2H3,(H,33,34)
InChIKey
MZNYXIHEQCYBRR-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-tetradecylphenoxy)-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

555.2074 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.21468 234.4
[M+Na]+ 578.19662 239.6
[M-H]- 554.20012 236.6
[M+NH4]+ 573.24122 240.9
[M+K]+ 594.17056 230.2
[M+H-H2O]+ 538.20466 227.2
[M+HCOO]- 600.20560 238.2
[M+CH3COO]- 614.22125 251.7
[M+Na-2H]- 576.18207 227.3
[M]+ 555.20685 245.2
[M]- 555.20795 245.2
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

patents stripe