CID 3079074

Brn 6000754

Structural Information

Molecular Formula
C21H30N4O2
SMILES
C1CCN(CC1)CN2C(=O)C3(CCN(CC3)CCC4=CC=CC=C4)NC2=O
InChI
InChI=1S/C21H30N4O2/c26-19-21(22-20(27)25(19)17-24-12-5-2-6-13-24)10-15-23(16-11-21)14-9-18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2,(H,22,27)
InChIKey
ZENYDNFFRSSBOR-UHFFFAOYSA-N
Compound name
8-(2-phenylethyl)-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.23688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.24416 195.2
[M+Na]+ 393.22610 205.0
[M+NH4]+ 388.27070 202.3
[M+K]+ 409.20004 197.8
[M-H]- 369.22960 198.4
[M+Na-2H]- 391.21155 200.6
[M]+ 370.23633 197.2
[M]- 370.23743 197.2
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.