CID 3456584

2'-(octadecyloxy)acetanilide

Structural Information

Molecular Formula
C26H45NO2
SMILES
CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C
InChI
InChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-26-22-19-18-21-25(26)27-24(2)28/h18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28)
InChIKey
LCRABOKLAPSBTC-UHFFFAOYSA-N
Compound name
N-(2-octadecoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.34503 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.35231 210.7
[M+Na]+ 426.33425 210.7
[M-H]- 402.33775 211.2
[M+NH4]+ 421.37885 221.3
[M+K]+ 442.30819 205.5
[M+H-H2O]+ 386.34229 201.2
[M+HCOO]- 448.34323 230.0
[M+CH3COO]- 462.35888 231.5
[M+Na-2H]- 424.31970 208.0
[M]+ 403.34448 217.7
[M]- 403.34558 217.7
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.