CID 40649

Brn 2759116

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]+ 338.232576 184.5
[M+Na]+ 360.214518 188.5
[M-H]- 336.218024 187.5
[M+NH4]+ 355.259123 198.2
[M+K]+ 376.188458 188.1
[M+H-H2O]+ 320.222560 177.0
[M+HCOO]- 382.223501 203.7
[M+CH3COO]- 396.239151 220.0
[M+Na-2H]- 358.199966 180.8
[M]+ 337.22475142 190.9
[M]- 337.22584858 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.