CID 40643

53206-76-1

Structural Information

Molecular Formula
C20H31NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN(C)C)C(=O)OC(C)C
InChI
InChI=1S/C20H31NO5/c1-13(2)16-9-8-15(5)18(20(23)26-14(3)4)19(16)25-12-17(22)24-11-10-21(6)7/h8-9,13-14H,10-12H2,1-7H3
InChIKey
IDEGKAZYUMJHRM-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22748 189.2
[M+Na]+ 388.20942 193.3
[M-H]- 364.21292 193.6
[M+NH4]+ 383.25402 202.3
[M+K]+ 404.18336 194.2
[M+H-H2O]+ 348.21746 181.5
[M+HCOO]- 410.21840 209.1
[M+CH3COO]- 424.23405 226.9
[M+Na-2H]- 386.19487 184.6
[M]+ 365.21965 198.0
[M]- 365.22075 198.0
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

No patent data available for this compound.