CID 103684

52762-65-9

Structural Information

Molecular Formula
C25H31Cl2NO3
SMILES
CC1=C(C=C(C(=C1Cl)O)NC(=O)C(C)OC2=C(C=C(C=C2)C(C)(C)C)C3CCCC3)Cl
InChI
InChI=1S/C25H31Cl2NO3/c1-14-19(26)13-20(23(29)22(14)27)28-24(30)15(2)31-21-11-10-17(25(3,4)5)12-18(21)16-8-6-7-9-16/h10-13,15-16,29H,6-9H2,1-5H3,(H,28,30)
InChIKey
PRNQILVHIGSAME-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2-cyclopentylphenoxy)-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.1681 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.17538 213.0
[M+Na]+ 486.15732 219.1
[M-H]- 462.16082 220.9
[M+NH4]+ 481.20192 224.3
[M+K]+ 502.13126 212.4
[M+H-H2O]+ 446.16536 206.7
[M+HCOO]- 508.16630 220.1
[M+CH3COO]- 522.18195 234.5
[M+Na-2H]- 484.14277 206.9
[M]+ 463.16755 216.8
[M]- 463.16865 216.8
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.