CID 3079076

Brn 6010553

Structural Information

Molecular Formula
C23H34N4O2
SMILES
C1CCN(CC1)CCCN2C(=O)C3(CCN(CC3)CCC4=CC=CC=C4)NC2=O
InChI
InChI=1S/C23H34N4O2/c28-21-23(11-18-26(19-12-23)17-10-20-8-3-1-4-9-20)24-22(29)27(21)16-7-15-25-13-5-2-6-14-25/h1,3-4,8-9H,2,5-7,10-19H2,(H,24,29)
InChIKey
DYXZFBSPWUOAEJ-UHFFFAOYSA-N
Compound name
8-(2-phenylethyl)-3-(3-piperidin-1-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2682 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.27548 202.8
[M+Na]+ 421.25742 203.9
[M-H]- 397.26092 205.1
[M+NH4]+ 416.30202 210.3
[M+K]+ 437.23136 197.0
[M+H-H2O]+ 381.26546 189.5
[M+HCOO]- 443.26640 209.6
[M+CH3COO]- 457.28205 207.2
[M+Na-2H]- 419.24287 198.3
[M]+ 398.26765 192.6
[M]- 398.26875 192.6
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.