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]+ 354.24275 189.4
[M+Na]+ 376.22469 193.9
[M-H]- 352.22819 195.6
[M+NH4]+ 371.26929 202.3
[M+K]+ 392.19863 190.3
[M+H-H2O]+ 336.23273 181.5
[M+HCOO]- 398.23367 208.2
[M+CH3COO]- 412.24932 219.8
[M+Na-2H]- 374.21014 192.3
[M]+ 353.23492 192.2
[M]- 353.23602 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.