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]+ 308.222026 177.6
[M+Na]+ 330.203968 182.0
[M-H]- 306.207474 181.8
[M+NH4]+ 325.248573 193.2
[M+K]+ 346.177908 181.4
[M+H-H2O]+ 290.212010 169.9
[M+HCOO]- 352.212951 199.6
[M+CH3COO]- 366.228601 215.3
[M+Na-2H]- 328.189416 176.7
[M]+ 307.21420142 184.4
[M]- 307.21529858 184.4
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.