CID 201914

Brn 0630121

Structural Information

Molecular Formula
C24H31N3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCCCC4=CC=CC=C4
InChI
InChI=1S/C24H31N3O/c28-23-24(27(20-25-23)22-13-7-2-8-14-22)15-18-26(19-16-24)17-9-3-6-12-21-10-4-1-5-11-21/h1-2,4-5,7-8,10-11,13-14H,3,6,9,12,15-20H2,(H,25,28)
InChIKey
VWKIGCAAAWWZMZ-UHFFFAOYSA-N
Compound name
1-phenyl-8-(5-phenylpentyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 198.1
[M+Na]+ 400.23592 210.5
[M+NH4]+ 395.28052 206.6
[M+K]+ 416.20986 200.9
[M-H]- 376.23942 203.3
[M+Na-2H]- 398.22137 206.6
[M]+ 377.24615 201.4
[M]- 377.24725 201.4
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.