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]+ 352.211836 185.9
[M+Na]+ 374.193778 188.8
[M-H]- 350.197284 189.4
[M+NH4]+ 369.238383 195.2
[M+K]+ 390.167718 188.4
[M+H-H2O]+ 334.201820 177.1
[M+HCOO]- 396.202761 198.7
[M+CH3COO]- 410.218411 213.5
[M+Na-2H]- 372.179226 183.3
[M]+ 351.20401142 187.5
[M]- 351.20510858 187.5
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.