CID 32166

23959-22-0

Structural Information

Molecular Formula
C17H27NO4
SMILES
CCCOC1=C(C=CC=C1OC)C(=O)OCCN(CC)CC
InChI
InChI=1S/C17H27NO4/c1-5-12-21-16-14(9-8-10-15(16)20-4)17(19)22-13-11-18(6-2)7-3/h8-10H,5-7,11-13H2,1-4H3
InChIKey
JPLGWGLTMCHUCF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-methoxy-2-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20128 175.7
[M+Na]+ 332.18322 180.6
[M-H]- 308.18672 180.0
[M+NH4]+ 327.22782 191.1
[M+K]+ 348.15716 180.3
[M+H-H2O]+ 292.19126 167.7
[M+HCOO]- 354.19220 199.2
[M+CH3COO]- 368.20785 213.4
[M+Na-2H]- 330.16867 176.6
[M]+ 309.19345 184.2
[M]- 309.19455 184.2
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.