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 177.6
[M+Na]+ 330.20397 182.0
[M-H]- 306.20747 181.8
[M+NH4]+ 325.24857 193.2
[M+K]+ 346.17791 181.4
[M+H-H2O]+ 290.21201 169.9
[M+HCOO]- 352.21295 199.6
[M+CH3COO]- 366.22860 215.3
[M+Na-2H]- 328.18942 176.7
[M]+ 307.21420 184.4
[M]- 307.21530 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.