CID 24212665

N-(3-chloro-4-methylphenyl)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetamide

Structural Information

Molecular Formula
C23H30ClNO2
SMILES
CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)Cl
InChI
InChI=1S/C23H30ClNO2/c1-16-7-10-18(13-20(16)24)25-21(26)14-27-19-11-8-17(9-12-19)23(5,6)15-22(2,3)4/h7-13H,14-15H2,1-6H3,(H,25,26)
InChIKey
FCNHVPDZSYCFBQ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1965 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20378 196.3
[M+Na]+ 410.18572 202.5
[M-H]- 386.18922 202.7
[M+NH4]+ 405.23032 209.0
[M+K]+ 426.15966 197.1
[M+H-H2O]+ 370.19376 189.1
[M+HCOO]- 432.19470 210.5
[M+CH3COO]- 446.21035 224.5
[M+Na-2H]- 408.17117 198.0
[M]+ 387.19595 201.7
[M]- 387.19705 201.7
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.