CID 24847104

1,3,8-triazaspiro(4.5)decan-4-one, 3-methyl-8-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-1-phenyl-

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCC4(CC3)C(=O)N(CN4C5=CC=CC=C5)C
InChI
InChI=1S/C24H29N3O3/c1-23(29-20-10-6-7-11-21(20)30-23)12-15-26-16-13-24(14-17-26)22(28)25(2)18-27(24)19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3
InChIKey
UBIPWOFOYDURIA-UHFFFAOYSA-N
Compound name
3-methyl-8-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-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

407.2209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 198.8
[M+Na]+ 430.21012 205.5
[M-H]- 406.21362 208.2
[M+NH4]+ 425.25472 210.9
[M+K]+ 446.18406 202.0
[M+H-H2O]+ 390.21816 187.9
[M+HCOO]- 452.21910 209.9
[M+CH3COO]- 466.23475 207.2
[M+Na-2H]- 428.19557 196.9
[M]+ 407.22035 197.0
[M]- 407.22145 197.0
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.