CID 40652

Brn 2773590

Structural Information

Molecular Formula
C19H29NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OC(C)CN(C)C)C(=O)OC
InChI
InChI=1S/C19H29NO5/c1-12(2)15-9-8-13(3)17(19(22)23-7)18(15)24-11-16(21)25-14(4)10-20(5)6/h8-9,12,14H,10-11H2,1-7H3
InChIKey
GUYKUDVQANANFT-UHFFFAOYSA-N
Compound name
methyl 2-[2-[1-(dimethylamino)propan-2-yloxy]-2-oxoethoxy]-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.211836 184.5
[M+Na]+ 374.193778 189.0
[M-H]- 350.197284 189.1
[M+NH4]+ 369.238383 198.2
[M+K]+ 390.167718 190.1
[M+H-H2O]+ 334.201820 177.0
[M+HCOO]- 396.202761 204.8
[M+CH3COO]- 410.218411 224.0
[M+Na-2H]- 372.179226 180.4
[M]+ 351.20401142 192.9
[M]- 351.20510858 192.9
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.