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 194.9
[M+Na]+ 393.22610 196.9
[M-H]- 369.22960 197.6
[M+NH4]+ 388.27070 203.5
[M+K]+ 409.20004 190.4
[M+H-H2O]+ 353.23414 181.9
[M+HCOO]- 415.23508 202.4
[M+CH3COO]- 429.25073 200.1
[M+Na-2H]- 391.21155 191.4
[M]+ 370.23633 184.1
[M]- 370.23743 184.1
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.