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]+ 421.25981 204.4
[M+Na]+ 443.24175 206.6
[M-H]- 419.24525 210.6
[M+NH4]+ 438.28635 212.9
[M+K]+ 459.21569 200.8
[M+H-H2O]+ 403.24979 192.0
[M+HCOO]- 465.25073 216.9
[M+CH3COO]- 479.26638 210.5
[M+Na-2H]- 441.22720 201.6
[M]+ 420.25198 198.8
[M]- 420.25308 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.