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]+ 326.21148 181.4
[M+Na]+ 348.19342 186.2
[M-H]- 324.19692 187.8
[M+NH4]+ 343.23802 195.3
[M+K]+ 364.16736 183.0
[M+H-H2O]+ 308.20146 173.0
[M+HCOO]- 370.20240 202.0
[M+CH3COO]- 384.21805 216.6
[M+Na-2H]- 346.17887 180.3
[M]+ 325.20365 183.6
[M]- 325.20475 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.