CID 80091

84501-54-2

Structural Information

Molecular Formula
C26H43NO3
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30)
InChIKey
FKWGPLSJOABHDC-UHFFFAOYSA-N
Compound name
4-(octadecylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

417.32428 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.33156 212.7
[M+Na]+ 440.31350 212.2
[M-H]- 416.31700 211.9
[M+NH4]+ 435.35810 221.8
[M+K]+ 456.28744 206.8
[M+H-H2O]+ 400.32154 203.5
[M+HCOO]- 462.32248 230.0
[M+CH3COO]- 476.33813 231.0
[M+Na-2H]- 438.29895 208.5
[M]+ 417.32373 218.0
[M]- 417.32483 218.0
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

patents stripe