CID 24208948

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

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C22H29NO2/c1-21(2,3)16-22(4,5)17-11-13-19(14-12-17)25-15-20(24)23-18-9-7-6-8-10-18/h6-14H,15-16H2,1-5H3,(H,23,24)
InChIKey
YHYQAKRWXUATCG-UHFFFAOYSA-N
Compound name
N-phenyl-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 185.3
[M+Na]+ 362.209038 189.4
[M-H]- 338.212544 191.3
[M+NH4]+ 357.253643 198.5
[M+K]+ 378.182978 185.8
[M+H-H2O]+ 322.217080 177.4
[M+HCOO]- 384.218021 204.5
[M+CH3COO]- 398.233671 215.6
[M+Na-2H]- 360.194486 189.4
[M]+ 339.21927142 187.3
[M]- 339.22036858 187.3
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

No patent data available for this compound.