CID 69724031

Pdp-ea

Structural Information

Molecular Formula
C25H43NO3
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NCCO
InChI
InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-24(21-23)29-22-25(28)26-19-20-27/h15,17-18,21,27H,2-14,16,19-20,22H2,1H3,(H,26,28)
InChIKey
BIOVSNWTCKRADD-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-(3-pentadecylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

405.32428 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.33156 208.8
[M+Na]+ 428.31350 208.7
[M-H]- 404.31700 208.0
[M+NH4]+ 423.35810 218.5
[M+K]+ 444.28744 203.5
[M+H-H2O]+ 388.32154 199.5
[M+HCOO]- 450.32248 227.2
[M+CH3COO]- 464.33813 228.0
[M+Na-2H]- 426.29895 206.3
[M]+ 405.32373 215.0
[M]- 405.32483 215.0
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