CID 24842783

Sch 3751

Structural Information

Molecular Formula
C24H41N3O4
SMILES
CCC1CCCN(C12C(C(=O)N(C(=O)C2C)CN3CCCCC3)C)CCC(=O)OCC
InChI
InChI=1S/C24H41N3O4/c1-5-20-11-10-15-26(16-12-21(28)31-6-2)24(20)18(3)22(29)27(23(30)19(24)4)17-25-13-8-7-9-14-25/h18-20H,5-17H2,1-4H3
InChIKey
FVIHUPDHGKGYEQ-UHFFFAOYSA-N
Compound name
ethyl 3-[5-ethyl-7,11-dimethyl-8,10-dioxo-9-(piperidin-1-ylmethyl)-1,9-diazaspiro[5.5]undecan-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.3097 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.31698 211.6
[M+Na]+ 458.29892 213.2
[M-H]- 434.30242 213.4
[M+NH4]+ 453.34352 219.0
[M+K]+ 474.27286 209.3
[M+H-H2O]+ 418.30696 200.7
[M+HCOO]- 480.30790 216.8
[M+CH3COO]- 494.32355 232.6
[M+Na-2H]- 456.28437 204.7
[M]+ 435.30915 206.5
[M]- 435.31025 206.5
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.