CID 40649

53206-83-0

Structural Information

Molecular Formula
C19H31NO4
SMILES
CCN(CC)CC(COC1=C(C=CC(=C1C(=O)OC)C)C(C)C)O
InChI
InChI=1S/C19H31NO4/c1-7-20(8-2)11-15(21)12-24-18-16(13(3)4)10-9-14(5)17(18)19(22)23-6/h9-10,13,15,21H,7-8,11-12H2,1-6H3
InChIKey
YHRJYEJUZXLIEM-UHFFFAOYSA-N
Compound name
methyl 2-[3-(diethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2253 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 184.5
[M+Na]+ 360.21452 188.5
[M-H]- 336.21802 187.5
[M+NH4]+ 355.25912 198.2
[M+K]+ 376.18846 188.1
[M+H-H2O]+ 320.22256 177.0
[M+HCOO]- 382.22350 203.7
[M+CH3COO]- 396.23915 220.0
[M+Na-2H]- 358.19997 180.8
[M]+ 337.22475 190.9
[M]- 337.22585 190.9
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.