CID 24208949

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

Structural Information

Molecular Formula
C23H31NO2
SMILES
CC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C23H31NO2/c1-17-8-7-9-19(14-17)24-21(25)15-26-20-12-10-18(11-13-20)23(5,6)16-22(2,3)4/h7-14H,15-16H2,1-6H3,(H,24,25)
InChIKey
XBBFIFAQQNNNLA-UHFFFAOYSA-N
Compound name
N-(3-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

353.23547 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 189.4
[M+Na]+ 376.224688 193.9
[M-H]- 352.228194 195.6
[M+NH4]+ 371.269293 202.3
[M+K]+ 392.198628 190.3
[M+H-H2O]+ 336.232730 181.5
[M+HCOO]- 398.233671 208.2
[M+CH3COO]- 412.249321 219.8
[M+Na-2H]- 374.210136 192.3
[M]+ 353.23492142 192.2
[M]- 353.23601858 192.2
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

No patent data available for this compound.