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]+ 399.275476 202.8
[M+Na]+ 421.257418 203.9
[M-H]- 397.260924 205.1
[M+NH4]+ 416.302023 210.3
[M+K]+ 437.231358 197.0
[M+H-H2O]+ 381.265460 189.5
[M+HCOO]- 443.266401 209.6
[M+CH3COO]- 457.282051 207.2
[M+Na-2H]- 419.242866 198.3
[M]+ 398.26765142 192.6
[M]- 398.26874858 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.