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]+ 385.25981 198.8
[M+Na]+ 407.24175 200.4
[M-H]- 383.24525 201.4
[M+NH4]+ 402.28635 206.9
[M+K]+ 423.21569 193.7
[M+H-H2O]+ 367.24979 185.7
[M+HCOO]- 429.25073 206.0
[M+CH3COO]- 443.26638 203.6
[M+Na-2H]- 405.22720 194.8
[M]+ 384.25198 188.4
[M]- 384.25308 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.