CID 3087544

2-diethylaminoethyl 1,3-bis(tetrahydro-2-furyl)propane-2-carboxylate hydrogen oxalate

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCN(CC)CCOC(=O)C(CC1CCCO1)CC2CCCO2
InChI
InChI=1S/C18H33NO4/c1-3-19(4-2)9-12-23-18(20)15(13-16-7-5-10-21-16)14-17-8-6-11-22-17/h15-17H,3-14H2,1-2H3
InChIKey
QYYFSXHGIZVSCV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.24097 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 187.5
[M+Na]+ 350.23019 186.7
[M-H]- 326.23369 194.2
[M+NH4]+ 345.27479 201.6
[M+K]+ 366.20413 188.7
[M+H-H2O]+ 310.23823 180.4
[M+HCOO]- 372.23917 204.6
[M+CH3COO]- 386.25482 212.4
[M+Na-2H]- 348.21564 183.6
[M]+ 327.24042 189.0
[M]- 327.24152 189.0
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

patents stripe