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
2
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 192.6
[M+Na]+ 372.25092 194.5
[M-H]- 348.25442 193.7
[M+NH4]+ 367.29552 205.0
[M+K]+ 388.22486 191.3
[M+H-H2O]+ 332.25896 184.0
[M+HCOO]- 394.25990 212.3
[M+CH3COO]- 408.27555 218.9
[M+Na-2H]- 370.23637 190.3
[M]+ 349.26115 197.7
[M]- 349.26225 197.7
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

patents stripe