CID 837889

N-(2,6-diisopropylphenyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C
InChI
InChI=1S/C21H27NO2/c1-6-24-17-12-10-16(11-13-17)21(23)22-20-18(14(2)3)8-7-9-19(20)15(4)5/h7-15H,6H2,1-5H3,(H,22,23)
InChIKey
PWYTYSBAHOAMFP-UHFFFAOYSA-N
Compound name
N-[2,6-di(propan-2-yl)phenyl]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.211476 181.4
[M+Na]+ 348.193418 186.2
[M-H]- 324.196924 187.8
[M+NH4]+ 343.238023 195.3
[M+K]+ 364.167358 183.0
[M+H-H2O]+ 308.201460 173.0
[M+HCOO]- 370.202401 202.0
[M+CH3COO]- 384.218051 216.6
[M+Na-2H]- 346.178866 180.3
[M]+ 325.20365142 183.6
[M]- 325.20474858 183.6
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.