CID 40657

Brn 2774744

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCN(CC)CCNC(=O)COC1=C(C=CC(=C1C(=O)OC)C)C(C)C
InChI
InChI=1S/C20H32N2O4/c1-7-22(8-2)12-11-21-17(23)13-26-19-16(14(3)4)10-9-15(5)18(19)20(24)25-6/h9-10,14H,7-8,11-13H2,1-6H3,(H,21,23)
InChIKey
DTRYRQSAXWHXNC-UHFFFAOYSA-N
Compound name
methyl 2-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 191.1
[M+Na]+ 387.22542 198.6
[M+NH4]+ 382.27002 195.3
[M+K]+ 403.19936 194.3
[M-H]- 363.22892 191.7
[M+Na-2H]- 385.21087 192.7
[M]+ 364.23565 191.8
[M]- 364.23675 191.8
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.