CID 24842781

Sch 3731

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCC1CCCN(C12C(C(=O)NC(=O)C2C)C)CCC(=O)OCC
InChI
InChI=1S/C18H30N2O4/c1-5-14-8-7-10-20(11-9-15(21)24-6-2)18(14)12(3)16(22)19-17(23)13(18)4/h12-14H,5-11H2,1-4H3,(H,19,22,23)
InChIKey
DSFRTJPGKUHQNP-UHFFFAOYSA-N
Compound name
ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 184.2
[M+Na]+ 361.20977 192.5
[M+NH4]+ 356.25437 190.0
[M+K]+ 377.18371 185.8
[M-H]- 337.21327 183.4
[M+Na-2H]- 359.19522 185.2
[M]+ 338.22000 184.8
[M]- 338.22110 184.8
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.