CID 208499

T 2197

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCN(CC)CCOC(=O)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C18H29NO3/c1-6-19(7-2)10-11-21-18(20)13-22-17-12-15(5)8-9-16(17)14(3)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3
InChIKey
QVTWCPCMWCDHJO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 176.4
[M+Na]+ 330.20397 186.1
[M+NH4]+ 325.24857 182.6
[M+K]+ 346.17791 180.4
[M-H]- 306.20747 177.9
[M+Na-2H]- 328.18942 180.1
[M]+ 307.21420 178.0
[M]- 307.21530 178.0
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

No patent data available for this compound.