CID 40700

Brn 2773600

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)NCCCN(C)C)C(=O)OC
InChI
InChI=1S/C19H30N2O4/c1-13(2)15-9-8-14(3)17(19(23)24-6)18(15)25-12-16(22)20-10-7-11-21(4)5/h8-9,13H,7,10-12H2,1-6H3,(H,20,22)
InChIKey
QFGAHDNFJKVAQU-UHFFFAOYSA-N
Compound name
methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.22055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.227826 187.5
[M+Na]+ 373.209768 191.4
[M-H]- 349.213274 191.9
[M+NH4]+ 368.254373 201.0
[M+K]+ 389.183708 191.4
[M+H-H2O]+ 333.217810 179.4
[M+HCOO]- 395.218751 209.5
[M+CH3COO]- 409.234401 226.1
[M+Na-2H]- 371.195216 184.7
[M]+ 350.22000142 194.3
[M]- 350.22109858 194.3
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.