CID 112582

Methyl 2-(4-acetamidophenoxy)myristate

Structural Information

Molecular Formula
C23H37NO4
SMILES
CCCCCCCCCCCCC(C(=O)OC)OC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-22(23(26)27-3)28-21-17-15-20(16-18-21)24-19(2)25/h15-18,22H,4-14H2,1-3H3,(H,24,25)
InChIKey
CDRWELMQOGDRDI-UHFFFAOYSA-N
Compound name
methyl 2-(4-acetamidophenoxy)tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.27225 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.27953 201.1
[M+Na]+ 414.26147 208.4
[M+NH4]+ 409.30607 205.2
[M+K]+ 430.23541 202.0
[M-H]- 390.26497 201.0
[M+Na-2H]- 412.24692 202.5
[M]+ 391.27170 201.7
[M]- 391.27280 201.7
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.