CID 40206

52073-09-3

Structural Information

Molecular Formula
C18H27NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN(C)C)C(=O)OC
InChI
InChI=1S/C18H27NO5/c1-12(2)14-8-7-13(3)16(18(21)22-6)17(14)24-11-15(20)23-10-9-19(4)5/h7-8,12H,9-11H2,1-6H3
InChIKey
IBHICZHJJGSIKX-UHFFFAOYSA-N
Compound name
methyl 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

337.18893 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 180.4
[M+Na]+ 360.17815 185.6
[M-H]- 336.18165 185.1
[M+NH4]+ 355.22275 194.7
[M+K]+ 376.15209 186.3
[M+H-H2O]+ 320.18619 172.8
[M+HCOO]- 382.18713 202.0
[M+CH3COO]- 396.20278 220.1
[M+Na-2H]- 358.16360 178.0
[M]+ 337.18838 189.1
[M]- 337.18948 189.1
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.