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

literature stripe

Patent stripe

patents stripe