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 185.9
[M+Na]+ 374.19378 188.8
[M-H]- 350.19728 189.4
[M+NH4]+ 369.23838 195.2
[M+K]+ 390.16772 188.4
[M+H-H2O]+ 334.20182 177.1
[M+HCOO]- 396.20276 198.7
[M+CH3COO]- 410.21841 213.5
[M+Na-2H]- 372.17923 183.3
[M]+ 351.20401 187.5
[M]- 351.20511 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.