CID 806614

2-(2,5-dimethylphenoxy)-n-(2,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=CC(=C2)C)C
InChI
InChI=1S/C18H21NO2/c1-12-5-7-14(3)16(9-12)19-18(20)11-21-17-10-13(2)6-8-15(17)4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKey
PSRNTNBMOVDKPN-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.3
[M+Na]+ 306.146448 175.0
[M-H]- 282.149954 174.5
[M+NH4]+ 301.191053 183.4
[M+K]+ 322.120388 171.3
[M+H-H2O]+ 266.154490 159.5
[M+HCOO]- 328.155431 191.0
[M+CH3COO]- 342.171081 207.1
[M+Na-2H]- 304.131896 169.5
[M]+ 283.15668142 170.1
[M]- 283.15777858 170.1
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.