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 182.0
[M+Na]+ 361.20977 186.9
[M-H]- 337.21327 182.4
[M+NH4]+ 356.25437 195.0
[M+K]+ 377.18371 183.6
[M+H-H2O]+ 321.21781 174.6
[M+HCOO]- 383.21875 192.4
[M+CH3COO]- 397.23440 211.3
[M+Na-2H]- 359.19522 179.3
[M]+ 338.22000 179.3
[M]- 338.22110 179.3
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.