CID 11654304

Cb-25

Structural Information

Molecular Formula
C25H41NO3
SMILES
CCCCCC1=CC(=CC(=C1)OCCCCCCCCCCC(=O)NC2CC2)O
InChI
InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28)
InChIKey
XFHZHCKWTBGPFD-UHFFFAOYSA-N
Compound name
N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

403.30865 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.31593 198.5
[M+Na]+ 426.29787 201.5
[M-H]- 402.30137 202.5
[M+NH4]+ 421.34247 204.3
[M+K]+ 442.27181 195.3
[M+H-H2O]+ 386.30591 189.7
[M+HCOO]- 448.30685 217.8
[M+CH3COO]- 462.32250 228.9
[M+Na-2H]- 424.28332 196.8
[M]+ 403.30810 206.4
[M]- 403.30920 206.4
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.