CID 70419

974-41-4

Structural Information

Molecular Formula
C20H23N3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,24)
InChIKey
QMECPMOWMNRLSL-UHFFFAOYSA-N
Compound name
8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

321.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 179.7
[M+Na]+ 344.173318 184.4
[M-H]- 320.176824 185.0
[M+NH4]+ 339.217923 192.0
[M+K]+ 360.147258 177.5
[M+H-H2O]+ 304.181360 167.8
[M+HCOO]- 366.182301 193.1
[M+CH3COO]- 380.197951 187.8
[M+Na-2H]- 342.158766 180.6
[M]+ 321.18355142 171.3
[M]- 321.18464858 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe