CID 32190

24022-37-5

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C(=CC=C1)OC)OCC
InChI
InChI=1S/C16H25NO4/c1-5-17(6-2)11-12-21-16(18)13-9-8-10-14(19-4)15(13)20-7-3/h8-10H,5-7,11-12H2,1-4H3
InChIKey
FDRLEERTDKEBHB-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-ethoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 171.0
[M+Na]+ 318.16756 176.4
[M-H]- 294.17106 175.5
[M+NH4]+ 313.21216 187.0
[M+K]+ 334.14150 176.3
[M+H-H2O]+ 278.17560 163.3
[M+HCOO]- 340.17654 194.9
[M+CH3COO]- 354.19219 210.5
[M+Na-2H]- 316.15301 172.5
[M]+ 295.17779 179.1
[M]- 295.17889 179.1
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.