CID 112582

Einecs 263-914-0

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
2
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 203.1
[M+Na]+ 414.26147 204.1
[M-H]- 390.26497 204.4
[M+NH4]+ 409.30607 213.9
[M+K]+ 430.23541 201.4
[M+H-H2O]+ 374.26951 194.1
[M+HCOO]- 436.27045 222.2
[M+CH3COO]- 450.28610 226.8
[M+Na-2H]- 412.24692 199.7
[M]+ 391.27170 209.9
[M]- 391.27280 209.9
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.