CID 3079075

Brn 6006196

Structural Information

Molecular Formula
C22H32N4O2
SMILES
C1CCN(CC1)CCN2C(=O)C3(CCN(CC3)CCC4=CC=CC=C4)NC2=O
InChI
InChI=1S/C22H32N4O2/c27-20-22(23-21(28)26(20)18-17-24-12-5-2-6-13-24)10-15-25(16-11-22)14-9-19-7-3-1-4-8-19/h1,3-4,7-8H,2,5-6,9-18H2,(H,23,28)
InChIKey
FNOIWYGSKXRSKO-UHFFFAOYSA-N
Compound name
8-(2-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.25253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.259806 198.8
[M+Na]+ 407.241748 200.4
[M-H]- 383.245254 201.4
[M+NH4]+ 402.286353 206.9
[M+K]+ 423.215688 193.7
[M+H-H2O]+ 367.249790 185.7
[M+HCOO]- 429.250731 206.0
[M+CH3COO]- 443.266381 203.6
[M+Na-2H]- 405.227196 194.8
[M]+ 384.25198142 188.4
[M]- 384.25307858 188.4
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.