CID 40216

52073-27-5

Structural Information

Molecular Formula
C18H27NO4
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN2CCOCC2)C(=O)OC
InChI
InChI=1S/C18H27NO4/c1-13(2)15-6-5-14(3)16(18(20)21-4)17(15)23-12-9-19-7-10-22-11-8-19/h5-6,13H,7-12H2,1-4H3
InChIKey
STLWFARPOWOHSM-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-(2-morpholin-4-ylethoxy)-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 178.5
[M+Na]+ 344.183218 182.8
[M-H]- 320.186724 183.5
[M+NH4]+ 339.227823 190.0
[M+K]+ 360.157158 182.1
[M+H-H2O]+ 304.191260 169.7
[M+HCOO]- 366.192201 194.0
[M+CH3COO]- 380.207851 209.8
[M+Na-2H]- 342.168666 177.9
[M]+ 321.19345142 180.8
[M]- 321.19454858 180.8
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.