CID 298412

1,3,8-triazaspiro(4.5)decan-4-one, 8-(3-(p-(dimethylamino)benzoyl)propyl)-1-phenyl-

Structural Information

Molecular Formula
C25H32N4O2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)CCCN2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4
InChI
InChI=1S/C25H32N4O2/c1-27(2)21-12-10-20(11-13-21)23(30)9-6-16-28-17-14-25(15-18-28)24(31)26-19-29(25)22-7-4-3-5-8-22/h3-5,7-8,10-13H,6,9,14-19H2,1-2H3,(H,26,31)
InChIKey
ANJCAQHRFDMAEC-UHFFFAOYSA-N
Compound name
8-[4-[4-(dimethylamino)phenyl]-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.25253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.259806 204.4
[M+Na]+ 443.241748 206.6
[M-H]- 419.245254 210.6
[M+NH4]+ 438.286353 212.9
[M+K]+ 459.215688 200.8
[M+H-H2O]+ 403.249790 192.0
[M+HCOO]- 465.250731 216.9
[M+CH3COO]- 479.266381 210.5
[M+Na-2H]- 441.227196 201.6
[M]+ 420.25198142 198.8
[M]- 420.25307858 198.8
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.