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]+ 406.331556 208.8
[M+Na]+ 428.313498 208.7
[M-H]- 404.317004 208.0
[M+NH4]+ 423.358103 218.5
[M+K]+ 444.287438 203.5
[M+H-H2O]+ 388.321540 199.5
[M+HCOO]- 450.322481 227.2
[M+CH3COO]- 464.338131 228.0
[M+Na-2H]- 426.298946 206.3
[M]+ 405.32373142 215.0
[M]- 405.32482858 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