CID 88509

Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-n-(3,5-dichloro-2-hydroxy-4-methylphenyl)-

Structural Information

Molecular Formula
C25H33Cl2NO3
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C(=C2O)Cl)C)Cl)C(C)(C)CC
InChI
InChI=1S/C25H33Cl2NO3/c1-8-24(4,5)16-10-11-20(17(12-16)25(6,7)9-2)31-14-21(29)28-19-13-18(26)15(3)22(27)23(19)30/h10-13,30H,8-9,14H2,1-7H3,(H,28,29)
InChIKey
RGIVHZWXUHEZIP-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

83
Patents

465.18375 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.19103 212.2
[M+Na]+ 488.17297 219.8
[M-H]- 464.17647 217.4
[M+NH4]+ 483.21757 222.3
[M+K]+ 504.14691 213.2
[M+H-H2O]+ 448.18101 206.2
[M+HCOO]- 510.18195 219.5
[M+CH3COO]- 524.19760 238.2
[M+Na-2H]- 486.15842 210.2
[M]+ 465.18320 220.6
[M]- 465.18430 220.6
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

patents stripe