CID 236481

63907-07-3

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCC(CC)COCCOCCCN1C(=O)C2C3CC(C2C1=O)C=C3
InChI
InChI=1S/C20H31NO4/c1-3-14(4-2)13-25-11-10-24-9-5-8-21-19(22)17-15-6-7-16(12-15)18(17)20(21)23/h6-7,14-18H,3-5,8-13H2,1-2H3
InChIKey
IEOZCZPGWGLPOM-UHFFFAOYSA-N
Compound name
4-[3-[2-(2-ethylbutoxy)ethoxy]propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

349.2253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 191.1
[M+Na]+ 372.21452 196.4
[M-H]- 348.21802 192.9
[M+NH4]+ 367.25912 211.0
[M+K]+ 388.18846 193.1
[M+H-H2O]+ 332.22256 186.2
[M+HCOO]- 394.22350 207.8
[M+CH3COO]- 408.23915 216.6
[M+Na-2H]- 370.19997 186.3
[M]+ 349.22475 197.9
[M]- 349.22585 197.9
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

patents stripe