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]+ 310.201276 175.7
[M+Na]+ 332.183218 180.6
[M-H]- 308.186724 180.0
[M+NH4]+ 327.227823 191.1
[M+K]+ 348.157158 180.3
[M+H-H2O]+ 292.191260 167.7
[M+HCOO]- 354.192201 199.2
[M+CH3COO]- 368.207851 213.4
[M+Na-2H]- 330.168666 176.6
[M]+ 309.19345142 184.2
[M]- 309.19454858 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.