CID 380295

101607-42-5

Structural Information

Molecular Formula
C24H33N3O3
SMILES
C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H33N3O3/c28-21(20-9-4-3-5-10-20)11-8-14-25-17-12-24(13-18-25)19-22(29)27(23(24)30)26-15-6-1-2-7-16-26/h3-5,9-10H,1-2,6-8,11-19H2
InChIKey
PKVGWESEWCDZAN-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.2522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.25948 203.1
[M+Na]+ 434.24142 203.5
[M-H]- 410.24492 209.3
[M+NH4]+ 429.28602 211.3
[M+K]+ 450.21536 201.3
[M+H-H2O]+ 394.24946 190.2
[M+HCOO]- 456.25040 211.8
[M+CH3COO]- 470.26605 208.1
[M+Na-2H]- 432.22687 197.6
[M]+ 411.25165 192.1
[M]- 411.25275 192.1
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.