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 192.2
[M+Na]+ 387.22542 195.6
[M-H]- 363.22892 196.4
[M+NH4]+ 382.27002 205.0
[M+K]+ 403.19936 195.3
[M+H-H2O]+ 347.23346 183.9
[M+HCOO]- 409.23440 213.8
[M+CH3COO]- 423.25005 229.1
[M+Na-2H]- 385.21087 188.8
[M]+ 364.23565 199.2
[M]- 364.23675 199.2
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.