CID 11495398

Cb-52

Structural Information

Molecular Formula
C26H43NO3
SMILES
CCCCCCC1=C(C=C(C=C1)O)OCCCCCCCCCCC(=O)NC2CC2
InChI
InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(28)21-25(22)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
InChIKey
BHJRHOCTESKVMJ-UHFFFAOYSA-N
Compound name
N-cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

417.32428 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.33156 202.5
[M+Na]+ 440.31350 205.0
[M-H]- 416.31700 206.3
[M+NH4]+ 435.35810 207.7
[M+K]+ 456.28744 198.6
[M+H-H2O]+ 400.32154 193.5
[M+HCOO]- 462.32248 221.4
[M+CH3COO]- 476.33813 231.7
[M+Na-2H]- 438.29895 200.3
[M]+ 417.32373 210.7
[M]- 417.32483 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe