CID 3023401

4-acetyl-n-octadecylbenzamide

Structural Information

Molecular Formula
C27H45NO2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C27H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-27(30)26-21-19-25(20-22-26)24(2)29/h19-22H,3-18,23H2,1-2H3,(H,28,30)
InChIKey
LUQUURAOAYAMAU-UHFFFAOYSA-N
Compound name
4-acetyl-N-octadecylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.34503 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.352306 214.5
[M+Na]+ 438.334248 214.1
[M-H]- 414.337754 214.9
[M+NH4]+ 433.378853 224.4
[M+K]+ 454.308188 208.6
[M+H-H2O]+ 398.342290 205.0
[M+HCOO]- 460.343231 232.7
[M+CH3COO]- 474.358881 234.5
[M+Na-2H]- 436.319696 210.0
[M]+ 415.34448142 220.6
[M]- 415.34557858 220.6
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.