CID 40650

53206-84-1

Structural Information

Molecular Formula
C19H29NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCOCC2)O)C(=O)OC
InChI
InChI=1S/C19H29NO5/c1-13(2)16-6-5-14(3)17(19(22)23-4)18(16)25-12-15(21)11-20-7-9-24-10-8-20/h5-6,13,15,21H,7-12H2,1-4H3
InChIKey
XMGWVESVLPTSKA-UHFFFAOYSA-N
Compound name
methyl 2-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.20456 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21184 184.9
[M+Na]+ 374.19378 194.3
[M+NH4]+ 369.23838 189.6
[M+K]+ 390.16772 190.6
[M-H]- 350.19728 186.9
[M+Na-2H]- 372.17923 187.0
[M]+ 351.20401 186.5
[M]- 351.20511 186.5
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.