CID 297027

8-(3-(2,3-dihydro-2-benzofuranyl)propyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCC3CC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C25H31N3O2/c1-26-19-28(21-9-3-2-4-10-21)25(24(26)29)13-16-27(17-14-25)15-7-11-22-18-20-8-5-6-12-23(20)30-22/h2-6,8-10,12,22H,7,11,13-19H2,1H3
InChIKey
MFIMWTJHRRPOPK-UHFFFAOYSA-N
Compound name
8-[3-(2,3-dihydro-1-benzofuran-2-yl)propyl]-3-methyl-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

405.24164 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 201.9
[M+Na]+ 428.23086 214.4
[M+NH4]+ 423.27546 210.9
[M+K]+ 444.20480 207.8
[M-H]- 404.23436 208.7
[M+Na-2H]- 426.21631 207.9
[M]+ 405.24109 205.7
[M]- 405.24219 205.7
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.