CID 112569

63123-44-4

Structural Information

Molecular Formula
C21H35NO3
SMILES
CCCCCCCCCCCCC(C(=O)OC)OC1=CC=C(C=C1)N
InChI
InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20(21(23)24-2)25-19-16-14-18(22)15-17-19/h14-17,20H,3-13,22H2,1-2H3
InChIKey
MXQQOPRYJPRJKH-UHFFFAOYSA-N
Compound name
methyl 2-(4-aminophenoxy)tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

349.2617 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26898 190.9
[M+Na]+ 372.25092 199.1
[M+NH4]+ 367.29552 196.2
[M+K]+ 388.22486 192.1
[M-H]- 348.25442 191.7
[M+Na-2H]- 370.23637 193.3
[M]+ 349.26115 192.0
[M]- 349.26225 192.0
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