CID 44144412

14436-50-1

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C18H27NO4/c1-5-19(6-2)13-14-23-17(21)18(4,16(20)22-7-3)15-11-9-8-10-12-15/h8-12H,5-7,13-14H2,1-4H3
InChIKey
PBJBVIHLBRYRQC-UHFFFAOYSA-N
Compound name
1-O-[2-(diethylamino)ethyl] 3-O-ethyl 2-methyl-2-phenylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

321.194 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 179.5
[M+Na]+ 344.183218 182.7
[M-H]- 320.186724 183.3
[M+NH4]+ 339.227823 193.8
[M+K]+ 360.157158 182.5
[M+H-H2O]+ 304.191260 171.8
[M+HCOO]- 366.192201 200.3
[M+CH3COO]- 380.207851 213.7
[M+Na-2H]- 342.168666 181.0
[M]+ 321.19345142 185.6
[M]- 321.19454858 185.6
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