CID 91811

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-pentadecylphenoxy)butanamide

Structural Information

Molecular Formula
C32H47Cl2NO3
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C(=C2O)Cl)C)Cl
InChI
InChI=1S/C32H47Cl2NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-25-20-18-21-26(22-25)38-29(5-2)32(37)35-28-23-27(33)24(3)30(34)31(28)36/h18,20-23,29,36H,4-17,19H2,1-3H3,(H,35,37)
InChIKey
ZGMXQWAUESVIEZ-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-pentadecylphenoxy)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

563.2933 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.30058 243.6
[M+Na]+ 586.28252 246.3
[M-H]- 562.28602 246.1
[M+NH4]+ 581.32712 249.0
[M+K]+ 602.25646 237.2
[M+H-H2O]+ 546.29056 235.0
[M+HCOO]- 608.29150 250.7
[M+CH3COO]- 622.30715 256.4
[M+Na-2H]- 584.26797 235.2
[M]+ 563.29275 254.3
[M]- 563.29385 254.3
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